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4-CHLORO-BENZENETHIOCARBOXYLIC-ACID
SpectraBase Compound ID CJjOZwCrYFh
InChI InChI=1S/C7H5ClOS/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChIKey LBVWMBBKFFQMRX-UHFFFAOYSA-N
Mol Weight 172.63 g/mol
Molecular Formula C7H5ClOS
Exact Mass 171.974964 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C1dXxEwVVYu
Name 4-CHLORO-BENZENETHIOCARBOXYLIC-ACID
Compound Number 1C'
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H5ClOS
InChI InChI=1S/C7H5ClOS/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChIKey LBVWMBBKFFQMRX-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 172.629 g/mol
Sample ID 38361
Solvent THF-D8