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4-methylsalicylic acid, methyl ester
SpectraBase Compound ID LlGWcmEiNUa
InChI InChI=1S/C9H10O3/c1-6-3-4-7(8(10)5-6)9(11)12-2/h3-5,10H,1-2H3
InChIKey UITFCFWKYAOJEJ-UHFFFAOYSA-N
Mol Weight 166.18 g/mol
Molecular Formula C9H10O3
Exact Mass 166.062994 g/mol
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Solvent CDCl3; Reference=TMS; Temperature 297K
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number S58024
Technique CAPILLARY CELL: NEAT
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum KC-0-2403-16
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum W5-1989-33626-31910
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum LQ-1992-3360-0
  • Methyl 2-hydroxy-4-methylbenzoate
  • UITFCFWKYAOJEJ-UHFFFAOYSA-N
  • SALICYLIC ACID, 4-METHYL-, METHYL ESTER
Title Journal or Book Year
Improved13C NMR Shift Prediction Program for Polysubstituted Benzenes and Sterically Defined Cyclohexane Derivatives Magnetic Resonance in Chemistry 1996

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