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2-Phenylinden-3-one-1-carboxylic acid, methyl ester

View entire compound with spectra: 1 FTIR

2-Phenylinden-3-one-1-carboxylic acid, methyl ester
SpectraBase Compound ID De6UzlqJi6z
InChI InChI=1S/C17H12O3/c1-20-17(19)15-12-9-5-6-10-13(12)16(18)14(15)11-7-3-2-4-8-11/h2-10H,1H3
InChIKey SXPNMRXUVRUJLR-UHFFFAOYSA-N
Mol Weight 264.28 g/mol
Molecular Formula C17H12O3
Exact Mass 264.078644 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2mvO1tITLqA
Name 2-Phenylinden-3-one-1-carboxylic acid, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.078644243 u
Formula C17H12O3
InChI InChI=1S/C17H12O3/c1-20-17(19)15-12-9-5-6-10-13(12)16(18)14(15)11-7-3-2-4-8-11/h2-10H,1H3
InChIKey SXPNMRXUVRUJLR-UHFFFAOYSA-N
SMILES C12=C(C=CC=C2)C(=O)C(=C1C(=O)OC)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939664