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1-Benzoxepin-5(2H)-one, 3-methyl-4-(phenylmethyl)-
SpectraBase Compound ID 1bM2Ub1Wnxm
InChI InChI=1S/C18H16O2/c1-13-12-20-17-10-6-5-9-15(17)18(19)16(13)11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
InChIKey CIDBHCKZUISJNP-UHFFFAOYSA-N
Mol Weight 264.32 g/mol
Molecular Formula C18H16O2
Exact Mass 264.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Yk6uXR2qqT
Name 1-Benzoxepin-5(2H)-one, 3-methyl-4-(phenylmethyl)-
Alternate Name(s) 4-Benzyl-3-methyl-1-benzoxepin-5(2H)-one
CAS Registry Number 60505-39-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O2
InChI InChI=1S/C18H16O2/c1-13-12-20-17-10-6-5-9-15(17)18(19)16(13)11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
InChIKey CIDBHCKZUISJNP-UHFFFAOYSA-N
Molecular Weight 264.324 g/mol
SMILES C=1(C(c2c(cccc2)OCC1C)=O)Cc1ccccc1
SPLASH splash10-0229-2980000000-d76dba9ba46f3f1cefce
Source of Spectrum H-59-687-35
Wiley ID 1268491