Data Access

NMR data can be accessed otuside of the CIC using the Chemistry Department’s Samba server. This can be done as follows:

  • Log in to \\\cic with the following username and password (the AD\ or delphi\ is necessary):
    • If you have a Chemistry Samba account, the username is AD\<your BU login> (e.g., AD\johndoe) and the password is your BU Kerberos password. Note, having an account is not necessary for data access (see below).
    • If you do not have a Chemistry Samba account, the username is delphi\cicuser and the password is blank.
  • Data will be located in nmr\<instrument>\<nmr username>\<date>\<experiment>, e.g., nmr\m500\johndoe\20101225\synthesis1.fid.
  • Note, You must be connected to the network in one of the following ways:
    • Via ethernet cable on the Chemistry side of Metcalf/SCI, in a Chemistry/CMLD lab in LSE, or in a Chemistry lab in Photonics.
    • Via the 802.1x wireless network.
    • Via the on-campus VPN.
    • Via the off-campus VPN. (This is the only one that will work away from BU.)
    • Via an Ethernet cable from ResNet locations.
    • At a machine in the BU Common @ Mugar library.
  • Note, if you are using a Mac and the instrument folders do not work, please connect to the following shares (these will be viewable if you connect to smb://
    • smb://
    • smb://
    • smb://
    • smb://
  • Note, for the teaching NMR in SCI 346 (The Bruker Fourier 300) please connect according to the instructions below:
    • For windows OS users, map a network drive to \\\cic data  
    • For mac OS users, connect to server  smb:// data
    • You will be asked to login: in the username field enter AD\your-BU-Kerberos-username and then your Kerberos password in the password field. Note that you must add ad\ in front of your username.
      • The Bruker Fourier 300 NMR (organic teaching lab) data is under b300f folder.

For general instructions on how to connect to a Samba server, please see . In these instructions, replace \\servername\share with \\\cic.

Free NMR Processing Software for Windows OS only:

You can process your data on your PC by downloading the free academic version of ACD labs from this link. Note that this is only compatible with Windows operating system. If you would like to learn how to use the software, there are easy to understand manuals and tutorials from the ACD labs website. Alternatively, you could contact Paul Ralifo for training. Group training is available as well.


When Publishing Peer-review Papers:

For the Experimental:

The 1H NMR and 13C NMR spectra were recorded at 117.42 kG (1H 500 MHz, 13C 125MHz), 93.94 kG (1H 400 MHz, 13C 100 MHz), or 70.50 kG (1H 300 MHz, 13C 75 MHz) atambient temperature as noted. Hydrogen chemical shifts are expressed in parts permillion (ppm) relative to the residual protio solvent resonance: CDCl3 δ 7.24, DMSO-d6 δ2.50. For 13C spectra, the centerline of the solvent signal was used as internal reference: CDCl3 δ 77.16, DMSO-d6 δ 39.52. Unless otherwise noted, each carbon resonance represents a single carbon (relative intensity). Inverse gated decoupled spectra using 10 second delays between transients were used for carbon resonance integration to establishrelative intensities greater than 1 carbon when not obvious. Multiplicities of 13C NMR peaks were determined using DEPT and APT spectra.

For the Acknowledgements:

We are grateful to the National Science Foundation for the purchase of the NMR’s (CHE0619339) used in this work.