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3-Allyloxycarbonyl-chroman-4-one;keto-tautomer

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

3-Allyloxycarbonyl-chroman-4-one;keto-tautomer
SpectraBase Compound ID A16Jg603FsD
InChI InChI=1S/C13H12O4/c1-2-7-16-13(15)10-8-17-11-6-4-3-5-9(11)12(10)14/h2-6,10H,1,7-8H2
InChIKey QRGIVKGZLMARSC-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 EguFlsvaFiH
Name 3-Allyloxycarbonyl-chroman-4-one;keto-tautomer
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/c1-2-7-16-13(15)10-8-17-11-6-4-3-5-9(11)12(10)14/h2-6,10H,1,7-8H2
InChIKey QRGIVKGZLMARSC-UHFFFAOYSA-N
Molecular Weight 232.235 g/mol
SMILES C1OC2=CC=CC=C2C(C1C(=O)OCC=C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.89587