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5-Heptenoic acid, 4,4-diacetyl-6-methyl-, methyl ester
SpectraBase Compound ID 427McXiu0m1
InChI InChI=1S/C13H20O4/c1-9(2)8-13(10(3)14,11(4)15)7-6-12(16)17-5/h8H,6-7H2,1-5H3
InChIKey PCQQYQLLKHQPIG-UHFFFAOYSA-N
Mol Weight 240.3 g/mol
Molecular Formula C13H20O4
Exact Mass 240.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CTteGjqMK9v
Name 5-Heptenoic acid, 4,4-diacetyl-6-methyl-, methyl ester
CAS Registry Number 131134-62-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O4
InChI InChI=1S/C13H20O4/c1-9(2)8-13(10(3)14,11(4)15)7-6-12(16)17-5/h8H,6-7H2,1-5H3
InChIKey PCQQYQLLKHQPIG-UHFFFAOYSA-N
Molecular Weight 240.299 g/mol
SMILES C(C=C(C)C)(CCC(=O)OC)(C(=O)C)C(=O)C
SPLASH splash10-000i-9300000000-700cacaa51480eeb0b12
Source of Spectrum F-46-5303-14
Synonyms Methyl 4,4-diacetyl-6-methyl-5-heptenoate Methyl 4,4-dimethoxycarbonyl-6-methyl-5-helptenoate
Wiley ID 1242861