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Prothionamide
SpectraBase Compound ID JCGDkoe0GFI
InChI InChI=1S/C9H12N2S/c1-2-3-8-6-7(9(10)12)4-5-11-8/h4-6H,2-3H2,1H3,(H2,10,12)
InChIKey VRDIULHPQTYCLN-UHFFFAOYSA-N
Mol Weight 180.27 g/mol
Molecular Formula C9H12N2S
Exact Mass 180.07212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJWrhXclRR2
Name Prothionamide
CAS Registry Number 14222-60-7
Classification Pharmaceutical drug, tuberculostatic
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 180.072119568 u
Formula C9H12N2S
InChI InChI=1S/C9H12N2S/c1-2-3-8-6-7(9(10)12)4-5-11-8/h4-6H,2-3H2,1H3,(H2,10,12)
InChIKey VRDIULHPQTYCLN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 180.269 g/mol
Nominal Mass 180 u
Quality 933
Retention Index 1816
SMILES NC(C1=CC(=NC=C1)CCC)=S
SPLASH splash10-0udi-2900000000-56bf8a90b4cf503e2011
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Protionamid 2-Propylpyridine-4-carbothioamide
Technique GC/MS
Wiley ID DD2024_003788