SpectraBase Spectrum ID |
FZiIqWKHF67 |
Name |
(S)-Ethyl 2-[1-benzyl-2-(ethysulfanyl)ethylamino]-1-cyclohexenecarboxylate |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
347.191900350 u |
Formula |
C20H29NO2S |
InChI |
InChI=1S/C20H29NO2S/c1-3-23-20(22)18-12-8-9-13-19(18)21-17(15-24-4-2)14-16-10-6-5-7-11-16/h5-7,10-11,17,21H,3-4,8-9,12-15H2,1-2H3/t17-/m0/s1 |
InChIKey |
ZCLMRYPOQCODHO-KRWDZBQOSA-N |
Molecular Weight |
347.517 g/mol |
SMILES |
C1(=C(N[C@@](CC=2C=CC=CC2)(CSCC)[H])CCCC1)C(=O)OCC |