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Propyl 2-oxo-2H-chromene-3-carboxylate

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

Propyl 2-oxo-2H-chromene-3-carboxylate
SpectraBase Compound ID HKYuiPZuHLN
InChI InChI=1S/C13H12O4/c1-2-7-16-12(14)10-8-9-5-3-4-6-11(9)17-13(10)15/h3-6,8H,2,7H2,1H3
InChIKey WEIHNHDMVCFGRA-UHFFFAOYSA-N
Mol Weight 232.23 g/mol
Molecular Formula C13H12O4
Exact Mass 232.073559 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KAA30QRpakT
Name Propyl 2-oxo-2H-chromene-3-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.073558862 u
Formula C13H12O4
InChI InChI=1S/C13H12O4/c1-2-7-16-12(14)10-8-9-5-3-4-6-11(9)17-13(10)15/h3-6,8H,2,7H2,1H3
InChIKey WEIHNHDMVCFGRA-UHFFFAOYSA-N
Molecular Weight 232.235 g/mol
SMILES C1=CC2=C(C=C1)OC(C(=C2)C(OCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956994