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(E)-hept-2-en-3-yl benzoate

View entire compound with spectra: 1 MS (GC)

(E)-hept-2-en-3-yl benzoate
SpectraBase Compound ID 44xHhw6hjcH
InChI InChI=1S/C14H18O2/c1-3-5-11-13(4-2)16-14(15)12-9-7-6-8-10-12/h4,6-10H,3,5,11H2,1-2H3/b13-4+
InChIKey VYQJLEFGPYFOCX-YIXHJXPBSA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LHV8bmaM0yX
Name (E)-hept-2-en-3-yl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-3-5-11-13(4-2)16-14(15)12-9-7-6-8-10-12/h4,6-10H,3,5,11H2,1-2H3/b13-4+
InChIKey VYQJLEFGPYFOCX-YIXHJXPBSA-N
Literature Reference DOI 10.1021/ol301563g
Molecular Weight 218.296 g/mol
SMILES c1(ccccc1)C(O\C(CCCC)=C/C)=O
SPLASH splash10-0a4i-3900000000-674efea611ef6b905d14
Source of Spectrum A1-14-3716/SMS24-4u(E)_isomer
Wiley ID 1750419