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Benzyl 6-methyl-2H-pyran-2-one-3-carboxylate

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

Benzyl 6-methyl-2H-pyran-2-one-3-carboxylate
SpectraBase Compound ID DRp12UDhdsp
InChI InChI=1S/C14H12O4/c1-10-7-8-12(14(16)18-10)13(15)17-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKey QYPBMRPVDOTLQN-UHFFFAOYSA-N
Mol Weight 244.25 g/mol
Molecular Formula C14H12O4
Exact Mass 244.073559 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Hd1vp0jVEe8
Name Benzyl 6-methyl-2H-pyran-2-one-3-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.073558862 u
Formula C14H12O4
InChI InChI=1S/C14H12O4/c1-10-7-8-12(14(16)18-10)13(15)17-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKey QYPBMRPVDOTLQN-UHFFFAOYSA-N
Molecular Weight 244.246 g/mol
SMILES C=1(C(OC(=CC1)C)=O)C(OCC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.981124