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3,4-Dihydro-3-hydroxy-4-(phenylmethyl)-1-benzoxepin-5(2H)-one
SpectraBase Compound ID HCF7Xa8inIj
InChI InChI=1S/C17H16O3/c18-15-11-20-16-9-5-4-8-13(16)17(19)14(15)10-12-6-2-1-3-7-12/h1-9,14-15,18H,10-11H2
InChIKey UKBOVQJEZMNPNF-UHFFFAOYSA-N
Mol Weight 268.31 g/mol
Molecular Formula C17H16O3
Exact Mass 268.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LhhFDMxSFpY
Name 3,4-Dihydro-3-hydroxy-4-(phenylmethyl)-1-benzoxepin-5(2H)-one
Alternate Name(s) 4-Benzyl-3-hydroxy-3,4-dihydro-1-benzoxepin-5(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O3
InChI InChI=1S/C17H16O3/c18-15-11-20-16-9-5-4-8-13(16)17(19)14(15)10-12-6-2-1-3-7-12/h1-9,14-15,18H,10-11H2
InChIKey UKBOVQJEZMNPNF-UHFFFAOYSA-N
Molecular Weight 268.312 g/mol
SMILES OC1COc2c(C(C1Cc1ccccc1)=O)cccc2
SPLASH splash10-00dj-6890000000-1fdb315534bcc34985fa
Source of Spectrum D8-327-693-5
Wiley ID 1515481