| SpectraBase Spectrum ID |
DTlY0ONVptR |
| Name |
(3R,4R)-1-Benzyl-4-(besylmethyl)-3-(1-bromo-1-methyl-ethyl)-2-pyrrolidone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
449.066027808 u |
| Formula |
C21H24BrNO3S |
| InChI |
InChI=1S/C21H24BrNO3S/c1-21(2,22)19-17(15-27(25,26)18-11-7-4-8-12-18)14-23(20(19)24)13-16-9-5-3-6-10-16/h3-12,17,19H,13-15H2,1-2H3/t17-,19-/m1/s1 |
| InChIKey |
GNFLMQNZMOHJGT-IEBWSBKVSA-N |
| Molecular Weight |
450.391 g/mol |
| SMILES |
C1(N(C[C@@]([C@]1(C(Br)(C)C)[H])(CS(=O)(=O)C=1C=CC=CC1)[H])CC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891579 |
