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3-AMINO-2-(4-CHLOROPHENYL)-PROPANE-SULFONIC-ACID;SACLOFEN

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3-AMINO-2-(4-CHLOROPHENYL)-PROPANE-SULFONIC-ACID;SACLOFEN
SpectraBase Compound ID CaE8qvP3yfc
InChI InChI=1S/C9H12ClNO3S/c10-9-3-1-7(2-4-9)8(5-11)6-15(12,13)14/h1-4,8H,5-6,11H2,(H,12,13,14)
InChIKey JYLNVJYYQQXNEK-UHFFFAOYSA-N
Mol Weight 249.71 g/mol
Molecular Formula C9H12ClNO3S
Exact Mass 249.022642 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9hRQOGSbeDT
Name 3-AMINO-2-(4-CHLOROPHENYL)-PROPANE-SULFONIC-ACID;SACLOFEN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12ClNO3S
InChI InChI=1S/C9H12ClNO3S/c10-9-3-1-7(2-4-9)8(5-11)6-15(12,13)14/h1-4,8H,5-6,11H2,(H,12,13,14)
InChIKey JYLNVJYYQQXNEK-UHFFFAOYSA-N
Literature Reference Author G.ABBENANTE,R.H.PRAGER
Literature Reference Citation AUSTR.J.CHEM.,43,213(1990)
Literature Reference DOI 10.1071/ch9900213
Molecular Weight 249.712 g/mol
Solvent D2O
Source File Reference UWED9554