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alpha-(2,4-DIHYDROXYPHENYL)-alpha-PHENYL-o-TOLUIC ACID, METHYL ESTER
SpectraBase Compound ID 9CLYnEIizul
InChI InChI=1S/C21H18O4/c1-25-21(24)17-10-6-5-9-16(17)20(14-7-3-2-4-8-14)18-12-11-15(22)13-19(18)23/h2-13,20,22-23H,1H3
InChIKey QTTTTZLWCNBLSW-UHFFFAOYSA-N
Mol Weight 334.37 g/mol
Molecular Formula C21H18O4
Exact Mass 334.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5QueQSQbSUC
Name alpha-(2,4-DIHYDROXYPHENYL)-alpha-PHENYL-o-TOLUIC ACID, METHYL ESTER
Source of Sample M. Hubacher, EX-LAX, Inc., Brooklyn, New York
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18O4
InChI InChI=1S/C21H18O4/c1-25-21(24)17-10-6-5-9-16(17)20(14-7-3-2-4-8-14)18-12-11-15(22)13-19(18)23/h2-13,20,22-23H,1H3
InChIKey QTTTTZLWCNBLSW-UHFFFAOYSA-N
Melting Point 203.5-204.4C
Molecular Weight 334.38
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BENZOIC ACID, 2-/2,4-DIHYDROXY- BENZHYDRYL/-, METHYL ESTER