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4-METHYL-BENZENETHIOCARBOXYLIC-ACID

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4-METHYL-BENZENETHIOCARBOXYLIC-ACID
SpectraBase Compound ID 4kv8rbF8fDl
InChI InChI=1S/C8H8OS/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey PJHWTWHVCOZCPU-UHFFFAOYSA-N
Mol Weight 152.21 g/mol
Molecular Formula C8H8OS
Exact Mass 152.029586 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 22hAYDir3Z3
Name 4-METHYL-BENZENETHIOCARBOXYLIC-ACID
Compound Number 1B'
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H8OS
InChI InChI=1S/C8H8OS/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey PJHWTWHVCOZCPU-UHFFFAOYSA-N
Literature Reference Author S.KATO,Y.KAWAHARA,H.KAGEYAMA,R.YAMADA,O.NIYOMURA,T.MURAI,T.K ANDA
Literature Reference Citation J.AM.CHEM.SOC.,118,1262(1996)
Literature Reference DOI 10.1021/ja953035l
Molecular Weight 152.211 g/mol
Sample ID 38359
Solvent THF-D8