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(S)-Ethyl 2-[1-benzyl-2-(ethysulfanyl)ethylamino]-1-cyclohexenecarboxylate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(S)-Ethyl 2-[1-benzyl-2-(ethysulfanyl)ethylamino]-1-cyclohexenecarboxylate
SpectraBase Compound ID 8GEMgXMV2UR
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
Mol Weight 347.52 g/mol
Molecular Formula C20H29NO2S
Exact Mass 347.1919 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 580UTiRF4xX
Name (S)-Ethyl 2-[1-benzyl-2-(ethysulfanyl)ethylamino]-1-cyclohexenecarboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
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 N(C1=C(C(=O)OCC)CCCC1)[C@@](Cc1ccccc1)(CSCC)[H]
SPLASH splash10-00fr-1191000000-326f2dc9e509f849647c
Source of Spectrum QE-7-1022-3
Wiley ID 845482