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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 B07q5olEtNI
Name 1-Hexadecylbenzo[cd]indole-2(1H)-thione
CAS Registry Number 303791-05-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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 409.676 g/mol
SMILES c1ccc2c3c1C(N(c3ccc2)CCCCCCCCCCCCCCCC)=S
SPLASH splash10-002f-9514000000-390f0e5a913844b74e35
Synonyms 1-Hexadecylbenz[cd]indole-2(1H)-thione 1-Hexadecyl-2-benzo[cd]indolethione 1-Hexadecylbenzo[cd]indole-2-thione
Wiley ID 1468886