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(2R(*),4R(*))-4-(Ethoxycarbonyl)-2-(4'-methoxyphenyl)-1-(phenyl-sulfonyl)-1,2,3,4-tetrahydropyridine
SpectraBase Compound ID DdkNlnqz8Gf
InChI InChI=1S/C21H23NO5S/c1-2-26-21(23)18-13-14-22(28(24,25)19-11-7-4-8-12-19)20(15-18)27-16-17-9-5-3-6-10-17/h3-14,18,20H,2,15-16H2,1H3/t18-,20-/m1/s1
InChIKey FBWJOZKAZHMVJO-UYAOXDASSA-N
Mol Weight 401.48 g/mol
Molecular Formula C21H23NO5S
Exact Mass 401.129694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjDbEJHeeJ9
Name (2R(*),4R(*))-4-(Ethoxycarbonyl)-2-(4'-methoxyphenyl)-1-(phenyl-sulfonyl)-1,2,3,4-tetrahydropyridine
CAS Registry Number 130146-85-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO5S
InChI InChI=1S/C21H23NO5S/c1-2-26-21(23)18-13-14-22(28(24,25)19-11-7-4-8-12-19)20(15-18)27-16-17-9-5-3-6-10-17/h3-14,18,20H,2,15-16H2,1H3/t18-,20-/m1/s1
InChIKey FBWJOZKAZHMVJO-UYAOXDASSA-N
Molecular Weight 401.477 g/mol
SMILES [C@]1(N(S(=O)(=O)c2ccccc2)C=C[C@](C1)(C(=O)OCC)[H])(OCc1ccccc1)[H]
SPLASH splash10-01ql-1930100000-d78f6034c6c5980efc73
Source of Spectrum C-113-1729-47
Synonyms (2R*,4S*)-1-(phenylsufonyl)-2-benzyloxy-4-(ethoxycarbonyl)-1,2,3,4-tetrahydropyridine Ethyl (2R,4S)-2-(benzyloxy)-1-(phenylsulfonyl)-1,2,3,4-tetrahydro-4-pyridinecarboxylate
Wiley ID 1369954