| SpectraBase Spectrum ID |
AEipytEV8Ac |
| Name |
2-Pyridinecarboxylic acid, 1,4,5,6-tetrahydro-6-(4-methoxyphenyl)-4-phenyl-1-(phenylsulfonyl)-, ethyl ester, cis- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
477.160994142 u |
| Formula |
C27H27NO5S |
| InChI |
InChI=1S/C27H27NO5S/c1-3-33-27(29)26-19-22(20-10-6-4-7-11-20)18-25(21-14-16-23(32-2)17-15-21)28(26)34(30,31)24-12-8-5-9-13-24/h4-17,19,22,25H,3,18H2,1-2H3/t22-,25-/m1/s1 |
| InChIKey |
YNRKGXWUSRAADE-RCZVLFRGSA-N |
| Molecular Weight |
477.575 g/mol |
| SMILES |
C=1(N([C@](C[C@](C1)(C1=CC=CC=C1)[H])(C=1C=CC(=CC1)OC)[H])S(=O)(=O)C=1C=CC=CC1)C(=O)OCC |
