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BAQGCWNPCFABAY-UHFFFAOYSA-N

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BAQGCWNPCFABAY-UHFFFAOYSA-N
SpectraBase Compound ID 7Rc2q46CkAe
InChI InChI=1S/C8H8O2S/c1-10-8(9)6-4-2-3-5-7(6)11/h2-5,11H,1H3
InChIKey BAQGCWNPCFABAY-UHFFFAOYSA-N
Mol Weight 168.21 g/mol
Molecular Formula C8H8O2S
Exact Mass 168.024501 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bw3acnBhiKO
Name o-MERCAPTOBENZOIC ACID, METHYL ESTER
Source of Sample A. E. Sopchik, C. A. Kingsbury J. Chem. Soc. Perkin Trans. Ii, 1979, 1058
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8O2S
InChI InChI=1S/C8H8O2S/c1-10-8(9)6-4-2-3-5-7(6)11/h2-5,11H,1H3
InChIKey BAQGCWNPCFABAY-UHFFFAOYSA-N
Molecular Weight 168.22
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Varian XL-100
Synonyms BENZOIC ACID, O-MERCAPTO-, METHYL ESTER