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1-Octadecyl-1H-1,3-benzodiazole-2-thiol

View entire compound with spectra: 1 MS (GC)

1-Octadecyl-1H-1,3-benzodiazole-2-thiol
SpectraBase Compound ID 8o6sN3ti8Ym
InChI InChI=1S/C25H42N2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-27-24-21-18-17-20-23(24)26-25(27)28/h17-18,20-21H,2-16,19,22H2,1H3,(H,26,28)
InChIKey KHDDHGCKJHOEKC-UHFFFAOYSA-N
Mol Weight 402.7 g/mol
Molecular Formula C25H42N2S
Exact Mass 402.306871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jy4s6HGYkmd
Name 1-Octadecyl-1H-1,3-benzodiazole-2-thiol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H42N2S
InChI InChI=1S/C25H42N2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-27-24-21-18-17-20-23(24)26-25(27)28/h17-18,20-21H,2-16,19,22H2,1H3,(H,26,28)
InChIKey KHDDHGCKJHOEKC-UHFFFAOYSA-N
Molecular Weight 402.685 g/mol
SMILES Sc1nc2ccccc2[n]1CCCCCCCCCCCCCCCCCC
SPLASH splash10-0gbc-6619100000-2304315f41083f476d25
Source of Spectrum IY-2-5135-5
Synonyms 1H-1,3-Benzimidazole-2-thiol, 1-octadecyl- 3-Octadecyl-1H-benzimidazole-2-thione
Wiley ID 1659338