| SpectraBase Spectrum ID |
IeMWlAJZtc3 |
| Name |
5-[4-[(5-Oxidanylidene-3,4-dihydropyrrol-2-yl)-phenyl-amino]but-2-ynyl-phenyl-amino]-3,4-dihydropyrrol-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.174275962 u |
| Formula |
C24H22N4O2 |
| InChI |
InChI=1S/C24H22N4O2/c29-23-15-13-21(25-23)27(19-9-3-1-4-10-19)17-7-8-18-28(20-11-5-2-6-12-20)22-14-16-24(30)26-22/h1-6,9-12H,13-18H2 |
| InChIKey |
NCRZMCJXGFHYOJ-UHFFFAOYSA-N |
| Molecular Weight |
398.466 g/mol |
| SMILES |
C1(=NC(=O)CC1)N(CC#CCN(C1=NC(=O)CC1)C1=CC=CC=C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960563 |
![5-[4-[(5-Oxidanylidene-3,4-dihydropyrrol-2-yl)-phenyl-amino]but-2-ynyl-phenyl-amino]-3,4-dihydropyrrol-2-one](/api/spectrum/IeMWlAJZtc3/structure.png?h=300&w=458 "5-[4-[(5-Oxidanylidene-3,4-dihydropyrrol-2-yl)-phenyl-amino]but-2-ynyl-phenyl-amino]-3,4-dihydropyrrol-2-one")
