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

*Links on SpectraBase are not permalinks.

2-Pyridinecarboxylic acid, 1,4,5,6-tetrahydro-5-methyl-4-phenyl-6-(phenylmethoxy)-1-(phenylsulfonyl)-, ethyl ester, (4.alpha.,5.alpha.,6.alpha.)-

View entire compound with spectra: 1 MS (GC)

2-Pyridinecarboxylic acid, 1,4,5,6-tetrahydro-5-methyl-4-phenyl-6-(phenylmethoxy)-1-(phenylsulfonyl)-, ethyl ester, (4.alpha.,5.alpha.,6.alpha.)-
SpectraBase Compound ID BSbg9DmaPR7
InChI InChI=1S/C28H29NO5S/c1-3-33-28(30)26-19-25(23-15-9-5-10-16-23)21(2)27(34-20-22-13-7-4-8-14-22)29(26)35(31,32)24-17-11-6-12-18-24/h4-19,21,25,27H,3,20H2,1-2H3/t21-,25-,27-/m0/s1
InChIKey ZCZPQZOIHMQGAT-NOOLENRPSA-N
Mol Weight 491.6 g/mol
Molecular Formula C28H29NO5S
Exact Mass 491.176644 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 6bxH1VGdEqW
Name 2-Pyridinecarboxylic acid, 1,4,5,6-tetrahydro-5-methyl-4-phenyl-6-(phenylmethoxy)-1-(phenylsulfonyl)-, ethyl ester, (4.alpha.,5.alpha.,6.alpha.)-
Alternate Name(s) (2R,3R*,4S*)-1-(phenylsufonyl)-2-(benzyloxy)-3-methyl-4-phenyl-6-(ethoxycarbonyl)-1,2,3,4-hydropyridine Ethyl (4S,5S,6S)-6-(benzyloxy)-5-methyl-4-phenyl-1-(phenylsulfonyl)-1,4,5,6-tetrahydro-2-pyridinecarboxylate
CAS Registry Number 132672-25-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H29NO5S
InChI InChI=1S/C28H29NO5S/c1-3-33-28(30)26-19-25(23-15-9-5-10-16-23)21(2)27(34-20-22-13-7-4-8-14-22)29(26)35(31,32)24-17-11-6-12-18-24/h4-19,21,25,27H,3,20H2,1-2H3/t21-,25-,27-/m0/s1
InChIKey ZCZPQZOIHMQGAT-NOOLENRPSA-N
Molecular Weight 491.602 g/mol
SMILES C=1(N([C@]([C@]([C@](C1)(c1ccccc1)[H])(C)[H])(OCc1ccccc1)[H])S(=O)(=O)c1ccccc1)C(=O)OCC
SPLASH splash10-001i-0119000000-ec0572e4c86e33e471ec
Source of Spectrum C-113-1725-28
Wiley ID 1397415