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(3Z)-3-Hexenyl butyrate
SpectraBase Compound ID KxypqGby695
InChI InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h5-6H,3-4,7-9H2,1-2H3/b6-5-
InChIKey ZCHOPXVYTWUHDS-WAYWQWQTSA-N
Mol Weight 170.25 g/mol
Molecular Formula C10H18O2
Exact Mass 170.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 90WDsblG6cA
Name Hex-(3Z)-enyl butyrate
Source of Sample SAFC Cat.no. W340200
CAS Registry Number 16491-36-4
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 170.130679818 u
Formula C10H18O2
InChI InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h5-6H,3-4,7-9H2,1-2H3/b6-5-
InChIKey ZCHOPXVYTWUHDS-WAYWQWQTSA-N
Molecular Weight 170.252 g/mol
Number of Peaks 50
RI1 1187
RI2 865
RI3 865
RI4 820
SMILES CC\C=C/CCOC(CCC)=O
SPLASH splash10-01c3-9000000000-483f44dfad6ea34d893a
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 Butanoic acid, (3Z)-3-hexenyl ester
Wiley ID LM_FFNSC3_348