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4-Benzyloxycarbonyl-2H-1-benzopyran-3(4H)-one

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

4-Benzyloxycarbonyl-2H-1-benzopyran-3(4H)-one
SpectraBase Compound ID DjO7Lnzy6TV
InChI InChI=1S/C17H14O4/c18-14-11-20-15-9-5-4-8-13(15)16(14)17(19)21-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2
InChIKey XEKCDIBMYJOXKU-UHFFFAOYSA-N
Mol Weight 282.3 g/mol
Molecular Formula C17H14O4
Exact Mass 282.089209 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ApJl0jB1zVY
Name 4-Benzyloxycarbonyl-2H-1-benzopyran-3(4H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.089208927 u
Formula C17H14O4
InChI InChI=1S/C17H14O4/c18-14-11-20-15-9-5-4-8-13(15)16(14)17(19)21-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2
InChIKey XEKCDIBMYJOXKU-UHFFFAOYSA-N
SMILES C1C(C(C=2C(O1)=CC=CC2)C(=O)OCC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931004