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2-Propenoic acid, 3-(4-oxo-4H-1-benzopyran-3-yl)-

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

2-Propenoic acid, 3-(4-oxo-4H-1-benzopyran-3-yl)-
SpectraBase Compound ID 5PkF7FC6sNa
InChI InChI=1S/C12H8O4/c13-11(14)6-5-8-7-16-10-4-2-1-3-9(10)12(8)15/h1-7H,(H,13,14)/b6-5+
InChIKey JTKDMUFCCJDYLT-AATRIKPKSA-N
Mol Weight 216.19 g/mol
Molecular Formula C12H8O4
Exact Mass 216.042259 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID BmwW4ZGOjNU
Name 2-Propenoic acid, 3-(4-oxo-4H-1-benzopyran-3-yl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 216.042258734 u
Formula C12H8O4
InChI InChI=1S/C12H8O4/c13-11(14)6-5-8-7-16-10-4-2-1-3-9(10)12(8)15/h1-7H,(H,13,14)/b6-5+
InChIKey JTKDMUFCCJDYLT-AATRIKPKSA-N
Molecular Weight 216.192 g/mol
SMILES OC(\C=C\C1=COC2=C(C=CC=C2)C1=O)=O
Spectrum/Structure Validation Score (Raman) 0.893023