| SpectraBase Spectrum ID |
19BPSBau3f0 |
| Name |
(E)-2-[1-Cyano-1-(4-bromophenyl)methylidene]-3-phenylimino-2,3-dihydro-1H-indole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
399.037110463 u |
| Formula |
C22H14BrN3 |
| InChI |
InChI=1S/C22H14BrN3/c23-16-12-10-15(11-13-16)19(14-24)22-21(25-17-6-2-1-3-7-17)18-8-4-5-9-20(18)26-22/h1-13,26H/b22-19-,25-21+ |
| InChIKey |
URXKXSDFKIYBEO-ALLBPQTPSA-N |
| Molecular Weight |
400.279 g/mol |
| SMILES |
C=12\C(\C(NC1C=CC=C2)=C/(C#N)C=1C=CC(=CC1)Br)=N\C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849266 |
![(E)-2-[1-Cyano-1-(4-bromophenyl)methylidene]-3-phenylimino-2,3-dihydro-1H-indole](/api/spectrum/19BPSBau3f0/structure.png?h=300&w=458 "(E)-2-[1-Cyano-1-(4-bromophenyl)methylidene]-3-phenylimino-2,3-dihydro-1H-indole")
