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1-oxo-2,2,5,7-Tetramethyl-4-indancarboxylic acid

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

1-oxo-2,2,5,7-Tetramethyl-4-indancarboxylic acid
SpectraBase Compound ID GsdDS7exma
InChI InChI=1S/C14H16O3/c1-7-5-8(2)11(13(16)17)9-6-14(3,4)12(15)10(7)9/h5H,6H2,1-4H3,(H,16,17)
InChIKey STZOOTNYAOKYQA-UHFFFAOYSA-N
Mol Weight 232.28 g/mol
Molecular Formula C14H16O3
Exact Mass 232.109944 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID HE9Nbn6Uk2D
Name 1-oxo-2,2,5,7-Tetramethyl-4-indancarboxylic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.109944372 u
Formula C14H16O3
InChI InChI=1S/C14H16O3/c1-7-5-8(2)11(13(16)17)9-6-14(3,4)12(15)10(7)9/h5H,6H2,1-4H3,(H,16,17)
InChIKey STZOOTNYAOKYQA-UHFFFAOYSA-N
Molecular Weight 232.279 g/mol
SMILES OC(C=1C=2CC(C(C2C(=CC1C)C)=O)(C)C)=O
Spectrum/Structure Validation Score (Raman) 0.790981