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(5E)-6-[(4-Methylphenyl)thio]-5,7-diphenylhept-5-enenitrile

View entire compound with spectra: 2 MS (GC)

(5E)-6-[(4-Methylphenyl)thio]-5,7-diphenylhept-5-enenitrile
SpectraBase Compound ID GXVic1lSgOz
InChI InChI=1S/C26H25NS/c1-21-15-17-24(18-16-21)28-26(20-22-10-4-2-5-11-22)25(14-8-9-19-27)23-12-6-3-7-13-23/h2-7,10-13,15-18H,8-9,14,20H2,1H3/b26-25+
InChIKey KWKHKWBRMQPPOR-OCEACIFDSA-N
Mol Weight 383.55 g/mol
Molecular Formula C26H25NS
Exact Mass 383.170771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LR8CatxUpaj
Name (5E)-6-[(4-Methylphenyl)thio]-5,7-diphenylhept-5-enenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H25NS
InChI InChI=1S/C26H25NS/c1-21-15-17-24(18-16-21)28-26(20-22-10-4-2-5-11-22)25(14-8-9-19-27)23-12-6-3-7-13-23/h2-7,10-13,15-18H,8-9,14,20H2,1H3/b26-25+
InChIKey KWKHKWBRMQPPOR-OCEACIFDSA-N
Molecular Weight 383.553 g/mol
SMILES c1(\C(=C/(Sc2ccc(C)cc2)Cc2ccccc2)CCCC#N)ccccc1
SPLASH splash10-001i-3209000000-3008d5af0c21e95105f8
Source of Spectrum F4-43-3461-9c
Wiley ID 1690569