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Disulfiram
SpectraBase Compound ID HkHSBMlqjWJ
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
Mol Weight 296.5 g/mol
Molecular Formula C10H20N2S4
Exact Mass 296.050933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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