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4,7-Dimethyl-4,5-dihydro-1-benzoxepin-3-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

4,7-Dimethyl-4,5-dihydro-1-benzoxepin-3-one
SpectraBase Compound ID ItOWkmp5cbK
InChI InChI=1S/C12H14O2/c1-8-3-4-12-10(5-8)6-9(2)11(13)7-14-12/h3-5,9H,6-7H2,1-2H3
InChIKey HJMJVVKPLDMGAE-UHFFFAOYSA-N
Mol Weight 190.24 g/mol
Molecular Formula C12H14O2
Exact Mass 190.09938 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ItDJH7XzbGq
Name 4,7-Dimethyl-4,5-dihydro-1-benzoxepin-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 190.099379689 u
Formula C12H14O2
InChI InChI=1S/C12H14O2/c1-8-3-4-12-10(5-8)6-9(2)11(13)7-14-12/h3-5,9H,6-7H2,1-2H3
InChIKey HJMJVVKPLDMGAE-UHFFFAOYSA-N
Molecular Weight 190.242 g/mol
SMILES C1OC=2C(CC(C1=O)C)=CC(=CC2)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.982811