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3-(Benzyloxycarbonyloxy)-1-benzopyran-2-one

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

3-(Benzyloxycarbonyloxy)-1-benzopyran-2-one
SpectraBase Compound ID Bmf8iwSUg3Z
InChI InChI=1S/C17H12O5/c18-16-15(10-13-8-4-5-9-14(13)21-16)22-17(19)20-11-12-6-2-1-3-7-12/h1-10H,11H2
InChIKey YYPXUYJWPLQYGZ-UHFFFAOYSA-N
Mol Weight 296.28 g/mol
Molecular Formula C17H12O5
Exact Mass 296.068473 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KYzxVIFVPLG
Name 3-(Benzyloxycarbonyloxy)-1-benzopyran-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.068473481 u
Formula C17H12O5
InChI InChI=1S/C17H12O5/c18-16-15(10-13-8-4-5-9-14(13)21-16)22-17(19)20-11-12-6-2-1-3-7-12/h1-10H,11H2
InChIKey YYPXUYJWPLQYGZ-UHFFFAOYSA-N
SMILES C=1(C(OC=2C(C1)=CC=CC2)=O)OC(=O)OCC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938704