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AUREOL-N,N-DIMETHYLTHIOCARBAMATE
SpectraBase Compound ID 889wKIKBJfx
InChI InChI=1S/C24H35NO2S/c1-16-8-11-20-22(2,3)12-7-13-24(20)23(16,4)15-17-14-18(9-10-19(17)27-24)26-21(28)25(5)6/h9-10,14,16,20H,7-8,11-13,15H2,1-6H3/t16-,20-,23+,24-/m0/s1
InChIKey DRTPUUQCYHYPIT-FOEAQLGISA-N
Mol Weight 401.6 g/mol
Molecular Formula C24H35NO2S
Exact Mass 401.238851 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID WYGitfhbpJ
Name AUREOL-N,N-DIMETHYLTHIOCARBAMATE
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H35NO2S
InChI InChI=1S/C24H35NO2S/c1-16-8-11-20-22(2,3)12-7-13-24(20)23(16,4)15-17-14-18(9-10-19(17)27-24)26-21(28)25(5)6/h9-10,14,16,20H,7-8,11-13,15H2,1-6H3/t16-,20-,23+,24-/m0/s1
InChIKey DRTPUUQCYHYPIT-FOEAQLGISA-N
Literature Reference Author J.F.HU,J.A.SCHETZ,M.KELLY,J.N.PENG,K.K.H.ANG,H.FLOTOW,C.Y.LE ONG,S.B.NG,A.D.BUSS,
Literature Reference Citation J.NAT.PROD.,65,476(2002)
Literature Reference DOI 10.1021/np010471e
Molecular Weight 401.607 g/mol
Solvent CDCl3
Source File Reference UWSI5544