| SpectraBase Spectrum ID |
CBr3kxzagcf |
| Name |
1-Benzyl-2,5-diphenyl-3-phenylsulfonylpyrrolidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
453.176250285 u |
| Formula |
C29H27NO2S |
| InChI |
InChI=1S/C29H27NO2S/c31-33(32,26-19-11-4-12-20-26)28-21-27(24-15-7-2-8-16-24)30(22-23-13-5-1-6-14-23)29(28)25-17-9-3-10-18-25/h1-20,27-29H,21-22H2/t27-,28+,29+/m1/s1 |
| InChIKey |
OSUJABTTZXHZQV-ULNSLHSMSA-N |
| Molecular Weight |
453.600 g/mol |
| SMILES |
[C@]1(S(=O)(=O)C=2C=CC=CC2)([C@@](N(CC=2C=CC=CC2)[C@](C1)(C1=CC=CC=C1)[H])(C=1C=CC=CC1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967227 |
