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(E)-4-(3-ketocyclohexyl)but-2-enoic acid methyl ester
SpectraBase Compound ID 7lEIFKN0Rs6
InChI InChI=1S/C11H16O3/c1-14-11(13)7-3-5-9-4-2-6-10(12)8-9/h3,7,9H,2,4-6,8H2,1H3/b7-3+
InChIKey RAWPNHYLDFGNOE-XVNBXDOJSA-N
Mol Weight 196.25 g/mol
Molecular Formula C11H16O3
Exact Mass 196.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7QQocFgzSUT
Name (E)-4-(3-ketocyclohexyl)but-2-enoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-14-11(13)7-3-5-9-4-2-6-10(12)8-9/h3,7,9H,2,4-6,8H2,1H3/b7-3+
InChIKey RAWPNHYLDFGNOE-XVNBXDOJSA-N
Molecular Weight 196.246 g/mol
SMILES C(\C=C\CC1CC(=O)CCC1)(=O)OC
SPLASH splash10-00ke-9100000000-3065cdeb896b841361e2
Source of Spectrum F-56-9275-5
Synonyms (E)-4-(3-oxocyclohexyl)-2-butenoic acid methyl ester Methyl (E)-4-(3-oxidanylidenecyclohexyl)but-2-enoate Methyl (E)-4-(3-oxocyclohexyl)but-2-enoate
Wiley ID 859200