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2-(BUTYLAMINO)-1-PHENYLETHANE-1-THIOSULFURIC-ACID
SpectraBase Compound ID 68SjdLrZeLH
InChI InChI=1S/C12H19NO3S2/c1-2-3-9-13-10-12(17-18(14,15)16)11-7-5-4-6-8-11/h4-8,12-13H,2-3,9-10H2,1H3,(H,14,15,16)
InChIKey KFMMRASNOCZGAE-UHFFFAOYSA-N
Mol Weight 289.41 g/mol
Molecular Formula C12H19NO3S2
Exact Mass 289.080636 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I7emzh7nYvl
Name 2-(BUTYLAMINO)-1-PHENYLETHANE-1-THIOSULFURIC-ACID
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H19NO3S2
InChI InChI=1S/C12H19NO3S2/c1-2-3-9-13-10-12(17-18(14,15)16)11-7-5-4-6-8-11/h4-8,12-13H,2-3,9-10H2,1H3,(H,14,15,16)
InChIKey KFMMRASNOCZGAE-UHFFFAOYSA-N
Literature Reference Author L.S.A.MOREIRA,D.PILO-VELOSO,D.L.NELSON
Literature Reference Citation QUIM.NOVA,23,447(2000)
Literature Reference DOI 10.1590/s0100-40422000000400003
Molecular Weight 289.408 g/mol
Solvent DMSO-D6
Source File Reference UWBT12431