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7-[(4'-Methoxyphenyl)methylene]-1-oxacycloheptan-2-one
SpectraBase Compound ID HqCG2LijwCi
InChI InChI=1S/C14H16O3/c1-16-12-8-6-11(7-9-12)10-13-4-2-3-5-14(15)17-13/h6-10H,2-5H2,1H3/b13-10+
InChIKey CQVCCNRJUIGFPY-JLHYYAGUSA-N
Mol Weight 232.28 g/mol
Molecular Formula C14H16O3
Exact Mass 232.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 83QSuDl4Jn8
Name 7-[(4'-Methoxyphenyl)methylene]-1-oxacycloheptan-2-one
Alternate Name(s) (7E)-7-(4-methoxybenzylidene)-2-oxepanone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O3
InChI InChI=1S/C14H16O3/c1-16-12-8-6-11(7-9-12)10-13-4-2-3-5-14(15)17-13/h6-10H,2-5H2,1H3/b13-10+
InChIKey CQVCCNRJUIGFPY-JLHYYAGUSA-N
Molecular Weight 232.279 g/mol
SMILES c1(\C=C\2OC(CCCC2)=O)ccc(cc1)OC
SPLASH splash10-00di-0900000000-1170a69b4c1f291a84cb
Source of Spectrum SK-25-2130-3
Wiley ID 866776