SpectraBase Spectrum ID |
9YCjRlMNuWa |
Name |
Disulfiram |
CAS Registry Number |
97-77-8 |
Classification |
Alcohol deterrent |
Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
296.050933348 u |
Formula |
C10H20N2S4 |
InChI |
InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3 |
InChIKey |
AUZONCFQVSMFAP-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
296.524 g/mol |
SMILES |
CCN(C(=S)SSC(=S)N(CC)CC)CC |
SPLASH |
splash10-02ti-9500000000-87ae663188ca0e507653 |
Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
Sample Preparation Procedure |
Detected: G P-I |
Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
Technique |
GC/MS |
Wiley ID |
MMPW6e_1494 |