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alpha-(1-OXO-2-INDANYL)-o-TOLUIC ACID

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 1 MS (GC)

alpha-(1-OXO-2-INDANYL)-o-TOLUIC ACID
SpectraBase Compound ID AlWfLmSaQvL
InChI InChI=1S/C17H14O3/c18-16-13(9-11-5-1-3-7-14(11)16)10-12-6-2-4-8-15(12)17(19)20/h1-8,13H,9-10H2,(H,19,20)
InChIKey GTRFHPLFAYPTSD-UHFFFAOYSA-N
Mol Weight 266.3 g/mol
Molecular Formula C17H14O3
Exact Mass 266.094294 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID A8lot9QhxDQ
Name A-(1-oxo-2-Indanyl)-o-toluic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.094294308 u
Formula C17H14O3
InChI InChI=1S/C17H14O3/c18-16-13(9-11-5-1-3-7-14(11)16)10-12-6-2-4-8-15(12)17(19)20/h1-8,13H,9-10H2,(H,19,20)
InChIKey GTRFHPLFAYPTSD-UHFFFAOYSA-N
Molecular Weight 266.296 g/mol
SMILES OC(C=1C(=CC=CC1)CC1CC=2C=CC=CC2C1=O)=O
Spectrum/Structure Validation Score (Raman) 0.958678