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TRANS-1-(1,2-DIHYDROXYCYCLOHEXYLMETHYL)-3-PHENYLTHIOUREA
SpectraBase Compound ID GCT4GxBU5IA
InChI InChI=1S/C14H20N2O2S/c17-12-8-4-5-9-14(12,18)10-15-13(19)16-11-6-2-1-3-7-11/h1-3,6-7,12,17-18H,4-5,8-10H2,(H2,15,16,19)/t12-,14+/m0/s1
InChIKey WLVQAFAJVHFOSY-GXTWGEPZSA-N
Mol Weight 280.39 g/mol
Molecular Formula C14H20N2O2S
Exact Mass 280.124549 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DmgHWyl7L8S
Name TRANS-1-(1,2-DIHYDROXYCYCLOHEXYLMETHYL)-3-PHENYLTHIOUREA
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H20N2O2S
InChI InChI=1S/C14H20N2O2S/c17-12-8-4-5-9-14(12,18)10-15-13(19)16-11-6-2-1-3-7-11/h1-3,6-7,12,17-18H,4-5,8-10H2,(H2,15,16,19)/t12-,14+/m0/s1
InChIKey WLVQAFAJVHFOSY-GXTWGEPZSA-N
Literature Reference Author A.HETENYI,Z.SZAKONYI,K.D.KLIKA,K.PIHLAJA,F.FUELOEP
Literature Reference Citation J.ORG.CHEM.,68,2175(2003)
Literature Reference DOI 10.1021/jo026428t
Molecular Weight 280.385 g/mol
Solvent DMSO-D6
Source File Reference UWLU27924