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(2E)-Hexenyl benzoate
SpectraBase Compound ID 7v17rwoBOB3
InChI InChI=1S/C13H16O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h4-10H,2-3,11H2,1H3/b8-4+
InChIKey IRWNFSMZBFIURE-XBXARRHUSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9om99t96MX8
Name Hex-(2E)-enyl benzoate
CAS Registry Number 76841-70-8
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 204.115029753 u
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h4-10H,2-3,11H2,1H3/b8-4+
InChIKey IRWNFSMZBFIURE-XBXARRHUSA-N
Molecular Weight 204.269 g/mol
Number of Peaks 50
RI1 1588
RI2 1266
SMILES c1cccc(c1)C(OC\C=C\CCC)=O
SPLASH splash10-0a4i-6900000000-857dd3418d01fa3b6dbe
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 2-Hexen-1-ol, benzoate, (2E)-
Wiley ID LM_FFNSC3_1605