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(E)-3-(3-ketocycloheptyl)acrylic acid methyl ester
SpectraBase Compound ID EVyhBNaNJP1
InChI InChI=1S/C11H16O3/c1-14-11(13)7-6-9-4-2-3-5-10(12)8-9/h6-7,9H,2-5,8H2,1H3/b7-6+
InChIKey LMJNMCNSQRTKIG-VOTSOKGWSA-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 FoIOdb4sJXI
Name (E)-3-(3-ketocycloheptyl)acrylic acid methyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-14-11(13)7-6-9-4-2-3-5-10(12)8-9/h6-7,9H,2-5,8H2,1H3/b7-6+
InChIKey LMJNMCNSQRTKIG-VOTSOKGWSA-N
Molecular Weight 196.246 g/mol
SMILES C(\C=C\C1CC(=O)CCCC1)(=O)OC
SPLASH splash10-000i-2900000000-c5bccd599a0f3715174e
Source of Spectrum KC-0-1894-6
Synonyms (E)-3-(3-oxocycloheptyl)-2-propenoic acid methyl ester Methyl (E)-3-(3-oxidanylidenecycloheptyl)prop-2-enoate Methyl (E)-3-(3-oxocycloheptyl)prop-2-enoate
Wiley ID 831181