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a-(1-oxo-2-indanyl)-o-toluic acid, methyl ester
SpectraBase Compound ID YCTuZxQAfU
InChI InChI=1S/C18H14O3/c1-21-18(20)16-9-5-3-7-13(16)11-14-10-12-6-2-4-8-15(12)17(14)19/h2-9,11H,10H2,1H3
InChIKey LTOWHIPDSPGRMQ-UHFFFAOYSA-N
Mol Weight 278.31 g/mol
Molecular Formula C18H14O3
Exact Mass 278.094294 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IqDAO7EMG17
Name alpha-(1-OXO-2-INDANYLIDENE)-o-TOLUIC ACID, METHYL ESTER
Source of Sample H. Neudeck, University of Vienna, Vienna, Austria
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14O3
InChI InChI=1S/C18H14O3/c1-21-18(20)16-9-5-3-7-13(16)11-14-10-12-6-2-4-8-15(12)17(14)19/h2-9,11H,10H2,1H3
InChIKey LTOWHIPDSPGRMQ-UHFFFAOYSA-N
Melting Point 148-150C
Molecular Weight 278.31
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms O-TOLUIC ACID, A-/1-OXO-2-INDANYLIDENE/-, METHYL ESTER