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N-Propyl-thionicotinamide

View entire compound with spectra: 1 MS (GC)

N-Propyl-thionicotinamide
SpectraBase Compound ID BRfveS9bx0m
InChI InChI=1S/C9H12N2S/c1-2-5-11-9(12)8-4-3-6-10-7-8/h3-4,6-7H,2,5H2,1H3,(H,11,12)
InChIKey AZEFCCJCAROOSH-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 S4MLdFveoh
Name N-Propyl-thionicotinamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12N2S
InChI InChI=1S/C9H12N2S/c1-2-5-11-9(12)8-4-3-6-10-7-8/h3-4,6-7H,2,5H2,1H3,(H,11,12)
InChIKey AZEFCCJCAROOSH-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C4RA13097A
Molecular Weight 180.269 g/mol
SMILES N(C(c1cccnc1)=S)CCC
SPLASH splash10-05cr-0900000000-05929acbb1d89cf1e0cf
Source of Spectrum RSA-5-4484/SM4-6
Synonyms N-propylpyridine-3-carbothioamide
Wiley ID 1805584