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1-[(1S,2R)-2-aminocyclohexyl]-3-(3,4-dimethoxyphenyl)thiourea
SpectraBase Compound ID 6Nkh8194Acu
InChI InChI=1S/C15H23N3O2S/c1-19-13-8-7-10(9-14(13)20-2)17-15(21)18-12-6-4-3-5-11(12)16/h7-9,11-12H,3-6,16H2,1-2H3,(H2,17,18,21)/t11-,12+/m1/s1
InChIKey RJRYGPLVTAATIV-NEPJUHHUSA-N
Mol Weight 309.43 g/mol
Molecular Formula C15H23N3O2S
Exact Mass 309.151098 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Xnm5gX5AO5
Name 1-[(1S,2R)-2-aminocyclohexyl]-3-(3,4-dimethoxyphenyl)thiourea
Compound Number CIS-#6C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H23N3O2S
InChI InChI=1S/C15H23N3O2S/c1-19-13-8-7-10(9-14(13)20-2)17-15(21)18-12-6-4-3-5-11(12)16/h7-9,11-12H,3-6,16H2,1-2H3,(H2,17,18,21)/t11-,12+/m1/s1
InChIKey RJRYGPLVTAATIV-NEPJUHHUSA-N
Literature Reference Author N.MIBU,K.YOKOMIZO,T.MIYATA,K.SUMOTO
Literature Reference Citation CHEM.PHARM.BULL.,55,1406(2007)
Literature Reference DOI 10.1248/cpb.55.1406
Molecular Weight 309.427 g/mol
Sample ID 56206
Solvent CDCl3