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2H-Pyran-5-carboxylic acid, 6-ethyl-4-methyl-2-oxo-, methyl ester

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

2H-Pyran-5-carboxylic acid, 6-ethyl-4-methyl-2-oxo-, methyl ester
SpectraBase Compound ID GAxaff9GT5X
InChI InChI=1S/C10H12O4/c1-4-7-9(10(12)13-3)6(2)5-8(11)14-7/h5H,4H2,1-3H3
InChIKey AQHSDRGMSMVKMZ-UHFFFAOYSA-N
Mol Weight 196.2 g/mol
Molecular Formula C10H12O4
Exact Mass 196.073559 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9ss7KDjbAkB
Name 2H-Pyran-5-carboxylic acid, 6-ethyl-4-methyl-2-oxo-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 196.073558862 u
Formula C10H12O4
InChI InChI=1S/C10H12O4/c1-4-7-9(10(12)13-3)6(2)5-8(11)14-7/h5H,4H2,1-3H3
InChIKey AQHSDRGMSMVKMZ-UHFFFAOYSA-N
Molecular Weight 196.202 g/mol
SMILES C1(=C(OC(C=C1C)=O)CC)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961593