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2H-1-Benzopyran-3(4H)-one, 2-(4-methoxyphenyl)-

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

2H-1-Benzopyran-3(4H)-one, 2-(4-methoxyphenyl)-
SpectraBase Compound ID 4NKKGA6Tyzz
InChI InChI=1S/C16H14O3/c1-18-13-8-6-11(7-9-13)16-14(17)10-12-4-2-3-5-15(12)19-16/h2-9,16H,10H2,1H3
InChIKey TWJUYXUYKZBYEH-UHFFFAOYSA-N
Mol Weight 254.28 g/mol
Molecular Formula C16H14O3
Exact Mass 254.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2ijBMR5fSVc
Name 2H-1-Benzopyran-3(4H)-one, 2-(4-methoxyphenyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.094294308 u
Formula C16H14O3
InChI InChI=1S/C16H14O3/c1-18-13-8-6-11(7-9-13)16-14(17)10-12-4-2-3-5-15(12)19-16/h2-9,16H,10H2,1H3
InChIKey TWJUYXUYKZBYEH-UHFFFAOYSA-N
Molecular Weight 254.285 g/mol
SMILES C1(OC=2C(CC1=O)=CC=CC2)C=1C=CC(=CC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.882568