| SpectraBase Spectrum ID |
63KpGNyvmgB |
| Name |
N-[1-(4-Bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-N-(2-oxidanyl-2-phenyl-ethyl)ethanamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
430.052820096 u |
| Formula |
C20H19BrN2O4 |
| InChI |
InChI=1S/C20H19BrN2O4/c1-13(24)22(12-18(25)14-5-3-2-4-6-14)17-11-19(26)23(20(17)27)16-9-7-15(21)8-10-16/h2-10,17-18,25H,11-12H2,1H3 |
| InChIKey |
SDVHDVJKYTZOBK-UHFFFAOYSA-N |
| Molecular Weight |
431.286 g/mol |
| SMILES |
C=1C=CC(C(CN(C2C(N(C(C2)=O)C=2C=CC(=CC2)Br)=O)C(=O)C)O)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845733 |
![N-[1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-N-(2-oxidanyl-2-phenyl-ethyl)ethanamide](/api/spectrum/63KpGNyvmgB/structure.png?h=300&w=458 "N-[1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-N-(2-oxidanyl-2-phenyl-ethyl)ethanamide")
