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(E)-2-hexenoic acid hexyl ester
SpectraBase Compound ID BdmyjMTtdbO
InChI InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h8,10H,3-7,9,11H2,1-2H3/b10-8+
InChIKey NGQTTWDHJIMWOI-CSKARUKUSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 74ElDTkNLRb
Name (E)-2-hexenoic acid hexyl ester
Alternate Name(s) Hexyl trans-2-hexenoate (E)-hex-2-enoic acid hexyl ester 2-Hexenoic acid, hexyl ester, (E)- Hexyl (E)-2-hexenoate Hexyl (E)-hex-2-enoate FEMA NO. 3692
CAS Registry Number 33855-57-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h8,10H,3-7,9,11H2,1-2H3/b10-8+
InChIKey NGQTTWDHJIMWOI-CSKARUKUSA-N
Molecular Weight 198.306 g/mol
SMILES C(\C=C\CCC)(=O)OCCCCCC
SPLASH splash10-066s-9300000000-6487f87fc33309ff02ed
Source of Spectrum UT-1990-873-0
Wiley ID 1195872