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N-cetyl-2-thioxo-1H-pyridine-3-carbothioamide
SpectraBase Compound ID BFOn9qwYmd5
InChI InChI=1S/C22H38N2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-21(25)20-17-16-19-24-22(20)26/h16-17,19H,2-15,18H2,1H3,(H,23,25)(H,24,26)
InChIKey JRVJZGHJQRUXNS-UHFFFAOYSA-N
Mol Weight 394.7 g/mol
Molecular Formula C22H38N2S2
Exact Mass 394.247642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ExSCjoBy9ol
Name N-cetyl-2-thioxo-1H-pyridine-3-carbothioamide
Alternate Name(s) N-hexadecyl-2-sulfanylidene-1H-pyridine-3-carbothioamide N-hexadecyl-2-thioxo-1H-pyridine-3-carbothioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H38N2S2
InChI InChI=1S/C22H38N2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-21(25)20-17-16-19-24-22(20)26/h16-17,19H,2-15,18H2,1H3,(H,23,25)(H,24,26)
InChIKey JRVJZGHJQRUXNS-UHFFFAOYSA-N
Molecular Weight 394.680 g/mol
SMILES N1C=CC=C(C(NCCCCCCCCCCCCCCCC)=S)C1=S
SPLASH splash10-0a4i-1439000000-f4f866cbe6d92d84ce66
Source of Spectrum F2-43-203-2
Wiley ID 1600532