For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(2R*,3R*,4S*)-1-(phenylsufonyl)-2-ethoxy-3-phenyl-4-(ethoxycarbonyl)-1,2,3,4-tetrahydropyridine
SpectraBase Compound ID 6kBrlg9v4Me
InChI InChI=1S/C22H25NO5S/c1-3-27-21-20(17-11-7-5-8-12-17)19(22(24)28-4-2)15-16-23(21)29(25,26)18-13-9-6-10-14-18/h5-16,19-21H,3-4H2,1-2H3/t19-,20-,21+/m0/s1
InChIKey ZLDCKNVUIZVIBW-PCCBWWKXSA-N
Mol Weight 415.5 g/mol
Molecular Formula C22H25NO5S
Exact Mass 415.145344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID C4VNiVuVdfK
Name (2R*,3R*,4S*)-1-(phenylsufonyl)-2-ethoxy-3-phenyl-4-(ethoxycarbonyl)-1,2,3,4-tetrahydropyridine
CAS Registry Number 130147-04-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO5S
InChI InChI=1S/C22H25NO5S/c1-3-27-21-20(17-11-7-5-8-12-17)19(22(24)28-4-2)15-16-23(21)29(25,26)18-13-9-6-10-14-18/h5-16,19-21H,3-4H2,1-2H3/t19-,20-,21+/m0/s1
InChIKey ZLDCKNVUIZVIBW-PCCBWWKXSA-N
Molecular Weight 415.504 g/mol
SMILES c1(S(N2[C@@]([C@@](c3ccccc3)([C@](C=C2)(C(=O)OCC)[H])[H])(OCC)[H])(=O)=O)ccccc1
SPLASH splash10-05fs-1921000000-0b89e38ae4e8173d7428
Source of Spectrum C-113-1727-40
Synonyms (2R*,3S*,4S*)-1-(phenylsufonyl)-2-ethoxy-3-phenyl-4-(ethoxycarbonyl)-1,2,3,4-tetrahydropyridine Ethyl (2R,3R,4S)-2-ethoxy-3-phenyl-1-(phenylsulfonyl)-1,2,3,4-tetrahydro-4-pyridinecarboxylate
Wiley ID 1375966