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2-Acetyl-6-heptenoic acid methyl ester
SpectraBase Compound ID EB1dWnaTfIN
InChI InChI=1S/C10H16O3/c1-4-5-6-7-9(8(2)11)10(12)13-3/h4,9H,1,5-7H2,2-3H3
InChIKey SOWZJTHYGZXLQO-UHFFFAOYSA-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 CNBUUDfnBMs
Name 2-Acetyl-6-heptenoic acid methyl ester
Alternate Name(s) 2-Acetylhept-6-enoic acid methyl ester Methyl 2-acetyl-6-heptenoate Methyl 2-acetylhept-6-enoate Methyl 2-ethanoylhept-6-enoate
CAS Registry Number 125334-60-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O3
InChI InChI=1S/C10H16O3/c1-4-5-6-7-9(8(2)11)10(12)13-3/h4,9H,1,5-7H2,2-3H3
InChIKey SOWZJTHYGZXLQO-UHFFFAOYSA-N
Molecular Weight 184.235 g/mol
SMILES C(C(=O)OC)(C(=O)C)CCCC=C
SPLASH splash10-0006-9100000000-7b83d5a7a8fd5bccd68a
Source of Spectrum F-46-7770-6
Wiley ID 1180616