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4-Heptenoic acid, 3-(1-methylethyl)-6-oxo-, methyl ester, (E)-
SpectraBase Compound ID EdyArtnPtXU
InChI InChI=1S/C11H18O3/c1-8(2)10(6-5-9(3)12)7-11(13)14-4/h5-6,8,10H,7H2,1-4H3/b6-5+
InChIKey ADDQOSZTHBJLDK-AATRIKPKSA-N
Mol Weight 198.26 g/mol
Molecular Formula C11H18O3
Exact Mass 198.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KnOsfrTe07x
Name 4-Heptenoic acid, 3-(1-methylethyl)-6-oxo-, methyl ester, (E)-
CAS Registry Number 41654-24-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-8(2)10(6-5-9(3)12)7-11(13)14-4/h5-6,8,10H,7H2,1-4H3/b6-5+
InChIKey ADDQOSZTHBJLDK-AATRIKPKSA-N
Molecular Weight 198.262 g/mol
SMILES C(\C=C\C(CC(=O)OC)C(C)C)(=O)C
SPLASH splash10-0006-9300000000-986407757987faa6f8b5
Source of Spectrum B-39-2174-4
Synonyms Methyl (4E)-3-isopropyl-6-oxo-4-heptenoate Methyl (E)-3-isopropyl-6-oxohept-4-enoate Methyl 3.zeta.-isopropyl-6-oxo-4e-heptenoate (E)-6-oxo-3-propan-2-yl-4-heptenoic acid methyl ester Methyl (E)-6-oxo-3-propan-2-ylhept-4-enoate Methyl (E)-3-isopropyl-6-oxo-hept-4-enoate Methyl (E)-6-oxidanylidene-3-propan-2-yl-hept-4-enoate
Wiley ID 1195463