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3-(Phenylmethyl)-3,4-dihydro-1H-2-benzopyran-1-one

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

3-(Phenylmethyl)-3,4-dihydro-1H-2-benzopyran-1-one
SpectraBase Compound ID E7tQs0cxIT8
InChI InChI=1S/C16H14O2/c17-16-15-9-5-4-8-13(15)11-14(18-16)10-12-6-2-1-3-7-12/h1-9,14H,10-11H2
InChIKey HCUSPJGHRICUSM-UHFFFAOYSA-N
Mol Weight 238.29 g/mol
Molecular Formula C16H14O2
Exact Mass 238.09938 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BLGl8oIGzKa
Name 3-(Phenylmethyl)-3,4-dihydro-1H-2-benzopyran-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.099379689 u
Formula C16H14O2
InChI InChI=1S/C16H14O2/c17-16-15-9-5-4-8-13(15)11-14(18-16)10-12-6-2-1-3-7-12/h1-9,14H,10-11H2
InChIKey HCUSPJGHRICUSM-UHFFFAOYSA-N
Molecular Weight 238.286 g/mol
SMILES C1(=O)OC(CC=2C=CC=CC12)CC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.886526