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1-Phenylthio-6-n-hexylnona-4,8-diene

View entire compound with spectra: 1 MS (GC)

1-Phenylthio-6-n-hexylnona-4,8-diene
SpectraBase Compound ID LjHWOMyvjPV
InChI InChI=1S/C21H32S/c1-3-5-6-9-15-20(14-4-2)16-10-8-13-19-22-21-17-11-7-12-18-21/h4,7,10-12,16-18,20H,2-3,5-6,8-9,13-15,19H2,1H3/b16-10+
InChIKey HBJDLZXASGTACI-MHWRWJLKSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32S
Exact Mass 316.222472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JPibrswW3Z4
Name 1-Phenylthio-6-n-hexylnona-4,8-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32S
InChI InChI=1S/C21H32S/c1-3-5-6-9-15-20(14-4-2)16-10-8-13-19-22-21-17-11-7-12-18-21/h4,7,10-12,16-18,20H,2-3,5-6,8-9,13-15,19H2,1H3/b16-10+
InChIKey HBJDLZXASGTACI-MHWRWJLKSA-N
Molecular Weight 316.547 g/mol
SMILES C(CC\C=C\C(CC=C)CCCCCC)Sc1ccccc1
SPLASH splash10-05i0-0951000000-85c34455b651143ca3b3
Source of Spectrum SO-0-533-3
Synonyms (4E)-6-hexyl-4,8-nonadienyl phenyl sulfide {[(4E)-6-hexyl-4,8-nonadienyl]sulfanyl}benzene
Wiley ID 1544178