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8-Isopropyl-4,5-dihydro-1-benzoxepin-3-one

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

8-Isopropyl-4,5-dihydro-1-benzoxepin-3-one
SpectraBase Compound ID B6sNOj477A5
InChI InChI=1S/C13H16O2/c1-9(2)11-4-3-10-5-6-12(14)8-15-13(10)7-11/h3-4,7,9H,5-6,8H2,1-2H3
InChIKey GZGDHHGMHKNKBQ-UHFFFAOYSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K35BvSxrOg8
Name 8-Isopropyl-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 204.115029753 u
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-9(2)11-4-3-10-5-6-12(14)8-15-13(10)7-11/h3-4,7,9H,5-6,8H2,1-2H3
InChIKey GZGDHHGMHKNKBQ-UHFFFAOYSA-N
Molecular Weight 204.269 g/mol
SMILES C1OC=2C(CCC1=O)=CC=C(C2)C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947277