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2,6-DIMETHYL_1-OXO-4-INDANECARBOXYLIC_ACID

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2,6-DIMETHYL_1-OXO-4-INDANECARBOXYLIC_ACID
SpectraBase Compound ID 4V72XtqUmrI
InChI InChI=1S/C12H12O3/c1-6-3-9-8(5-7(2)11(9)13)10(4-6)12(14)15/h3-4,7H,5H2,1-2H3,(H,14,15)
InChIKey ASNYCVAGBSOWNP-UHFFFAOYSA-N
Mol Weight 204.22 g/mol
Molecular Formula C12H12O3
Exact Mass 204.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bOgw2n1q0J
Name 2,6-Dimethyl-1-oxoindane-4-carboxylic Acid
Alternate Name(s) 2,6-Dimethyl-1-oxo-2,3-dihydroindene-4-carboxylic acid 2,6-Dimethyl-1-oxo-indane-4-carboxylic acid 2,6-Dimethyl-1-oxidanylidene-2,3-dihydroindene-4-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O3
InChI InChI=1S/C12H12O3/c1-6-3-9-8(5-7(2)11(9)13)10(4-6)12(14)15/h3-4,7H,5H2,1-2H3,(H,14,15)
InChIKey ASNYCVAGBSOWNP-UHFFFAOYSA-N
Molecular Weight 204.225 g/mol
SMILES OC(c1c2c(C(=O)C(C2)C)cc(c1)C)=O
SPLASH splash10-0udr-2930000000-1d2d76b723ea21e52194
Source of Spectrum G4-71-1921-1
Wiley ID 1695219