| SpectraBase Spectrum ID |
J3yGgWmN8bh |
| Name |
2-Amino-5-(1,3-benzodioxol-5-yl)-4,4-diphenyl-3-pyrrolecarbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
379.132076797 u |
| Formula |
C24H17N3O2 |
| InChI |
InChI=1S/C24H17N3O2/c25-14-19-23(26)27-22(16-11-12-20-21(13-16)29-15-28-20)24(19,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-13H,15,26H2 |
| InChIKey |
CIMRTFWFIPIREV-UHFFFAOYSA-N |
| Molecular Weight |
379.419 g/mol |
| SMILES |
C=1(C(C(C=2C=C3OCOC3=CC2)=NC1N)(C=1C=CC=CC1)C=1C=CC=CC1)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924744 |
