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cis-3-Hexenyl acetate
SpectraBase Compound ID EPEvFNC3sIe
InChI InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-
InChIKey NPFVOOAXDOBMCE-PLNGDYQASA-N
Mol Weight 142.2 g/mol
Molecular Formula C8H14O2
Exact Mass 142.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3NbeHUkwHSI
Name Hex-(3Z)-enyl acetate
Source of Sample SAFC Cat.no. W317101
CAS Registry Number 3681-71-8
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 142.099379689 u
Formula C8H14O2
InChI InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-
InChIKey NPFVOOAXDOBMCE-PLNGDYQASA-N
Molecular Weight 142.198 g/mol
Number of Peaks 50
RI1 1008
RI2 678
RI3 723
RI4 677
SMILES C(C)(=O)OCC\C=C/CC
SPLASH splash10-00kf-9000000000-9539681a22afc60c5f0e
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 3-Hexen-1-ol, acetate, (3Z)-
Wiley ID LM_FFNSC3_223