| SpectraBase Spectrum ID |
5w3lgBzTQRK |
| Name |
4-{2-[m-(Dimethylamino)phenoxy]ethyl}-3,3-diphenyl-1-isopropyl-2-pyrrolidinethione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.239184896 u |
| Formula |
C29H34N2OS |
| InChI |
InChI=1S/C29H34N2OS/c1-22(2)31-21-25(18-19-32-27-17-11-16-26(20-27)30(3)4)29(28(31)33,23-12-7-5-8-13-23)24-14-9-6-10-15-24/h5-17,20,22,25H,18-19,21H2,1-4H3 |
| InChIKey |
NYODYXKKHZYLFZ-UHFFFAOYSA-N |
| Molecular Weight |
458.664 g/mol |
| SMILES |
C1N(C(C(C1CCOC=1C=C(C=CC1)N(C)C)(C=1C=CC=CC1)C=1C=CC=CC1)=S)C(C)C |
| Spectrum/Structure Validation Score (Raman) |
0.990317 |
![4-{2-[m-(Dimethylamino)phenoxy]ethyl}-3,3-diphenyl-1-isopropyl-2-pyrrolidinethione](/api/spectrum/5w3lgBzTQRK/structure.png?h=300&w=458 "4-{2-[m-(Dimethylamino)phenoxy]ethyl}-3,3-diphenyl-1-isopropyl-2-pyrrolidinethione")
