| SpectraBase Spectrum ID |
EUyCFm5QcKr |
| Name |
1-[4-Nitro-alpha-(p-tolylsulfonyl)-o-tolyl]pyrrolidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.114378302 u |
| Formula |
C18H20N2O4S |
| InChI |
InChI=1S/C18H20N2O4S/c1-14-4-7-17(8-5-14)25(23,24)13-15-12-16(20(21)22)6-9-18(15)19-10-2-3-11-19/h4-9,12H,2-3,10-11,13H2,1H3 |
| InChIKey |
NUPCEDCNRJALRL-UHFFFAOYSA-N |
| Molecular Weight |
360.428 g/mol |
| SMILES |
N(=O)(=O)C=1C=C(C(=CC1)N1CCCC1)CS(=O)(=O)C=1C=CC(=CC1)C |
| Spectrum/Structure Validation Score (Raman) |
0.834041 |
![1-[4-Nitro-alpha-(p-tolylsulfonyl)-o-tolyl]pyrrolidine](/api/spectrum/EUyCFm5QcKr/structure.png?h=300&w=458 "1-[4-Nitro-alpha-(p-tolylsulfonyl)-o-tolyl]pyrrolidine")
