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7-Benzylidene-3-methyl-1-oxacycloheptan-2-one
SpectraBase Compound ID SDmbzqdtio
InChI InChI=1S/C14H16O2/c1-11-6-5-9-13(16-14(11)15)10-12-7-3-2-4-8-12/h2-4,7-8,10-11H,5-6,9H2,1H3/b13-10-
InChIKey RCLLZBFBUXZOGI-RAXLEYEMSA-N
Mol Weight 216.28 g/mol
Molecular Formula C14H16O2
Exact Mass 216.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I1VoiYh73rS
Name 7-Benzylidene-3-methyl-1-oxacycloheptan-2-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O2
InChI InChI=1S/C14H16O2/c1-11-6-5-9-13(16-14(11)15)10-12-7-3-2-4-8-12/h2-4,7-8,10-11H,5-6,9H2,1H3/b13-10-
InChIKey RCLLZBFBUXZOGI-RAXLEYEMSA-N
Molecular Weight 216.280 g/mol
SMILES C1(O\C(=C/c2ccccc2)CCCC1C)=O
SPLASH splash10-014i-0920000000-6f2ee15bdd35ebc03956
Source of Spectrum SK-25-2130-3
Synonyms (7Z)-7-benzylidene-3-methyl-2-oxepanone
Wiley ID 866775