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1-Hexadecylbenzo[cd]indole-2(1H)-thione

View entire compound with spectra: 2 MS (GC)

1-Hexadecylbenzo[cd]indole-2(1H)-thione
SpectraBase Compound ID D5RlOoXT7BW
InChI InChI=1S/C27H39NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-28-25-21-17-19-23-18-16-20-24(26(23)25)27(28)29/h16-21H,2-15,22H2,1H3
InChIKey RDJXWOUPDVPSPC-UHFFFAOYSA-N
Mol Weight 409.7 g/mol
Molecular Formula C27H39NS
Exact Mass 409.280321 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CVXG17g7zlS
Name 1-HEXADECYLBENZ[cd]INDOLE-2(1H)-THIONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H39NS
InChI InChI=1S/C27H39NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-28-25-21-17-19-23-18-16-20-24(26(23)25)27(28)29/h16-21H,2-15,22H2,1H3
InChIKey RDJXWOUPDVPSPC-UHFFFAOYSA-N
Molecular Weight 409.2794
SMILES c1c2C(=S)N(CCCCCCCCCCCCCCCC)c3c2c(ccc3)cc1
SPLASH splash10-002f-9514000000-9ae8c3a563f893d33386
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany