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Methyl 6-benzylmethyl-2H-pyran-2-one-3-carboxylate

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

Methyl 6-benzylmethyl-2H-pyran-2-one-3-carboxylate
SpectraBase Compound ID E9DahAnVsJO
InChI InChI=1S/C15H14O4/c1-18-14(16)13-10-9-12(19-15(13)17)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3
InChIKey SUIQBPDGYMTQSN-UHFFFAOYSA-N
Mol Weight 258.27 g/mol
Molecular Formula C15H14O4
Exact Mass 258.089209 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IpMdYX64at6
Name Methyl 6-benzylmethyl-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 258.089208927 u
Formula C15H14O4
InChI InChI=1S/C15H14O4/c1-18-14(16)13-10-9-12(19-15(13)17)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3
InChIKey SUIQBPDGYMTQSN-UHFFFAOYSA-N
Molecular Weight 258.273 g/mol
SMILES C=1(C(OC(=CC1)CCC1=CC=CC=C1)=O)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965465