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4,5-Dihydro-4-(1,1-dimethylethyl)-3-benzoxepin-2(1H)-one
SpectraBase Compound ID 91NpCfSbkDl
InChI InChI=1S/C14H18O2/c1-14(2,3)12-8-10-6-4-5-7-11(10)9-13(15)16-12/h4-7,12H,8-9H2,1-3H3
InChIKey RLIGGCXFINWETC-UHFFFAOYSA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IrE8zhVfIXt
Name 4,5-Dihydro-4-(1,1-dimethylethyl)-3-benzoxepin-2(1H)-one
Alternate Name(s) 4-tert-Butyl-4,5-dihydro-3-benzoxepin-2(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-14(2,3)12-8-10-6-4-5-7-11(10)9-13(15)16-12/h4-7,12H,8-9H2,1-3H3
InChIKey RLIGGCXFINWETC-UHFFFAOYSA-N
Molecular Weight 218.296 g/mol
SMILES C1(OC(Cc2ccccc2C1)C(C)(C)C)=O
SPLASH splash10-0ue9-1900000000-81d16e3b89a0d73ece7c
Source of Spectrum F-51-3363-9
Wiley ID 791269