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(3E)-3-Hexenyl butyrate
SpectraBase Compound ID A0ACaHqdBr0
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-AATRIKPKSA-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 JW4cu1mdIuu
Name (3E)-3-Hexenyl butyrate
Alternate Name(s) Butanoic acid, 3-hexenyl ester, (E)- (E)-Hex-3-enyl butyrate 3-Hexenyl butyrate (E) Butanoic acid, (3E)-3-hexenyl ester trans-3-Hexenyl butyrate Butanoic acid [(E)-hex-3-enyl] ester [(E)-hex-3-enyl] butanoate AI3-36052 EINECS 258-516-9
CAS Registry Number 53398-84-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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-AATRIKPKSA-N
Molecular Weight 170.252 g/mol
SMILES CCCC(=O)OCC\C=C\CC
SPLASH splash10-00rx-9000000000-659231e9647312fedcaa
Source of Spectrum XW-211-0-0
Wiley ID 1166866