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(+)-(3S,1E)- (3-Methyl-oct-1-enyl)-benzene
SpectraBase Compound ID HOK0VJiAQyV
InChI InChI=1S/C15H22/c1-3-4-6-9-14(2)12-13-15-10-7-5-8-11-15/h5,7-8,10-14H,3-4,6,9H2,1-2H3/b13-12+/t14-/m0/s1
InChIKey SQCDGNCXQFSFQN-FNDVETGQSA-N
Mol Weight 202.34 g/mol
Molecular Formula C15H22
Exact Mass 202.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4EHk1aVy01c
Name (+)-(3S,1E)- (3-Methyl-oct-1-enyl)-benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22
InChI InChI=1S/C15H22/c1-3-4-6-9-14(2)12-13-15-10-7-5-8-11-15/h5,7-8,10-14H,3-4,6,9H2,1-2H3/b13-12+/t14-/m0/s1
InChIKey SQCDGNCXQFSFQN-FNDVETGQSA-N
Literature Reference DOI 10.1021/ol063097o
Molecular Weight 202.341 g/mol
SMILES c1(ccccc1)\C=C\[C@@](C)(CCCCC)[H]
SPLASH splash10-001i-2910000000-bcf42c09b8b308ae6ea8
Source of Spectrum A1-9-1041/SMS24-(+)_(S)_9
Synonyms (S,E)-(3-methyloct-1-en-1-yl)benzene
Wiley ID 1757936