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4-Heptenoic acid, 4-formyl-, ethyl ester, (E)-
SpectraBase Compound ID CzeyvAVYtH1
InChI InChI=1S/C10H16O3/c1-3-5-9(8-11)6-7-10(12)13-4-2/h5,8H,3-4,6-7H2,1-2H3/b9-5+
InChIKey QYYMLAYGDWTGEG-WEVVVXLNSA-N
Mol Weight 184.23 g/mol
Molecular Formula C10H16O3
Exact Mass 184.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EXI1RxRzajA
Name 4-Heptenoic acid, 4-formyl-, ethyl ester, (E)-
CAS Registry Number 58203-47-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O3
InChI InChI=1S/C10H16O3/c1-3-5-9(8-11)6-7-10(12)13-4-2/h5,8H,3-4,6-7H2,1-2H3/b9-5+
InChIKey QYYMLAYGDWTGEG-WEVVVXLNSA-N
Molecular Weight 184.235 g/mol
SMILES C(=O)(CC\C(=C/CC)C=O)OCC
SPLASH splash10-01p6-9400000000-1cd4a2cfa21b8752b25b
Source of Spectrum AC-1981-438-0
Synonyms (4-formyl)-ethyl-4-heptenate Ethyl (4E)-4-formyl-4-heptenoate
Wiley ID 1180519