| SpectraBase Spectrum ID |
3hm73x4ZIRD |
| Name |
(Z)-6-(5-Bromo-2,4-dimethoxybenzylidene)-5,6-dihydrobenzo[B]indeno[2,1-E][1,4]diazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.062990858 u |
| Formula |
C25H19BrN2O2 |
| InChI |
InChI=1S/C25H19BrN2O2/c1-29-23-13-24(30-2)20(26)12-15(23)11-18-16-7-3-4-8-17(16)19-14-27-21-9-5-6-10-22(21)28-25(18)19/h3-14,28H,1-2H3/b18-11- |
| InChIKey |
UDVOYZSMBZKEFI-WQRHYEAKSA-N |
| Molecular Weight |
459.343 g/mol |
| SMILES |
C1=C(C(=CC(=C1OC)\C=C/1C2=C(C3=C1C=CC=C3)C=NC1=C(N2)C=CC=C1)Br)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930364 |
![(Z)-6-(5-bromo-2,4-dimethoxybenzylidene)-5,6-dihydrobenzo[b]indeno[2,1-e][1,4]diazepine](/api/spectrum/3hm73x4ZIRD/structure.png?h=300&w=458 "(Z)-6-(5-bromo-2,4-dimethoxybenzylidene)-5,6-dihydrobenzo[b]indeno[2,1-e][1,4]diazepine")
