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4,7-Dihydro-7-oxo-6-phenyloxepin-2-carboxylic acid-methylester
SpectraBase Compound ID 1JkF6EstTIG
InChI InChI=1S/C14H12O4/c1-17-14(16)12-9-5-8-11(13(15)18-12)10-6-3-2-4-7-10/h2-4,6-9H,5H2,1H3
InChIKey AKBGUVCRKKYNOA-UHFFFAOYSA-N
Mol Weight 244.25 g/mol
Molecular Formula C14H12O4
Exact Mass 244.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kehk5S72qP3
Name 4,7-Dihydro-7-oxo-6-phenyloxepin-2-carboxylic acid-methylester
Alternate Name(s) Methyl 7-oxo-6-phenyl-4,7-dihydrooxepine-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12O4
InChI InChI=1S/C14H12O4/c1-17-14(16)12-9-5-8-11(13(15)18-12)10-6-3-2-4-7-10/h2-4,6-9H,5H2,1H3
InChIKey AKBGUVCRKKYNOA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19901231014
Molecular Weight 244.246 g/mol
SMILES C1=C(C(OC(=CC1)C(OC)=O)=O)c1ccccc1
SPLASH splash10-056r-1910000000-e1b182c9540803c1bb5c
Source of Spectrum K-123-2036-15
Wiley ID 1794568