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N-octadecyl-2-sulfanylidene-1H-pyridine-3-carbothioamide

View entire compound with spectra: 1 MS (GC)

N-octadecyl-2-sulfanylidene-1H-pyridine-3-carbothioamide
SpectraBase Compound ID BDX9vosB3J7
InChI InChI=1S/C24H42N2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-23(27)22-19-18-21-26-24(22)28/h18-19,21H,2-17,20H2,1H3,(H,25,27)(H,26,28)
InChIKey ONGFVVZZOJAMKX-UHFFFAOYSA-N
Mol Weight 422.7 g/mol
Molecular Formula C24H42N2S2
Exact Mass 422.278942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BpseaiVjbUy
Name N-octadecyl-2-sulfanylidene-1H-pyridine-3-carbothioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H42N2S2
InChI InChI=1S/C24H42N2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-23(27)22-19-18-21-26-24(22)28/h18-19,21H,2-17,20H2,1H3,(H,25,27)(H,26,28)
InChIKey ONGFVVZZOJAMKX-UHFFFAOYSA-N
Molecular Weight 422.734 g/mol
SMILES N1C=CC=C(C(NCCCCCCCCCCCCCCCCCC)=S)C1=S
SPLASH splash10-000i-2539000000-d8cdd5c5657c26fef80a
Source of Spectrum F2-43-203-2
Synonyms N-octadecyl-2-thioxo-1H-pyridine-3-carbothioamide N-stearyl-2-thioxo-1H-pyridine-3-carbothioamide
Wiley ID 1600531