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(E)-4-ketohex-2-enoic acid ethyl ester
SpectraBase Compound ID ILNiM3S47cq
InChI InChI=1S/C8H12O3/c1-3-7(9)5-6-8(10)11-4-2/h5-6H,3-4H2,1-2H3/b6-5+
InChIKey SSJIXKNIALTVDP-AATRIKPKSA-N
Mol Weight 156.18 g/mol
Molecular Formula C8H12O3
Exact Mass 156.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3BLAbisFDk
Name (E)-4-ketohex-2-enoic acid ethyl ester
CAS Registry Number 61454-94-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O3
InChI InChI=1S/C8H12O3/c1-3-7(9)5-6-8(10)11-4-2/h5-6H,3-4H2,1-2H3/b6-5+
InChIKey SSJIXKNIALTVDP-AATRIKPKSA-N
Molecular Weight 156.181 g/mol
SMILES C(\C=C\C(=O)OCC)(CC)=O
SPLASH splash10-0002-9400000000-9939b4e4375dc566a666
Source of Spectrum K1-2000-2800-19
Synonyms Ethyl 4-oxohex-2-enoate (E)-4-oxo-2-hexenoic acid ethyl ester 4-Oxo-2-hexenoic acid, ethyl ester Ethyl (2E)-4-oxo-2-hexenoate Ethyl (E)-4-oxidanylidenehex-2-enoate Ethyl (E)-4-oxohex-2-enoate
Wiley ID 749980