| SpectraBase Spectrum ID |
IRVP0mlOwBr |
| Name |
(2S*,3R*,4R*)-2,4-Dimthyl-1-(p-methoxyphenyl)-3-phenylthiopyrrolidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.150035538 u |
| Formula |
C19H23NOS |
| InChI |
InChI=1S/C19H23NOS/c1-14-13-20(16-9-11-17(21-3)12-10-16)15(2)19(14)22-18-7-5-4-6-8-18/h4-12,14-15,19H,13H2,1-3H3/t14-,15+,19-/m1/s1 |
| InChIKey |
RGZXFLBOJAOFSC-ZRGWGRIASA-N |
| Molecular Weight |
313.459 g/mol |
| SMILES |
[C@@]1(N(C[C@]([C@]1(SC=1C=CC=CC1)[H])(C)[H])C1=CC=C(C=C1)OC)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913156 |
