| SpectraBase Spectrum ID |
KRVddMMRo4X |
| Name |
4-(4-Bromophenyl)-7-(diethylamino)-2-ethoxymethyleneamino-4H-chromene-3-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
453.105190023 u |
| Formula |
C23H24BrN3O2 |
| InChI |
InChI=1S/C23H24BrN3O2/c1-4-27(5-2)18-11-12-19-21(13-18)29-23(26-15-28-6-3)20(14-25)22(19)16-7-9-17(24)10-8-16/h7-13,15,22H,4-6H2,1-3H3/b26-15+ |
| InChIKey |
NQJLAHXJHKNLFM-CVKSISIWSA-N |
| Molecular Weight |
454.368 g/mol |
| SMILES |
C1(=C(OC2=C(C1C=1C=CC(=CC1)Br)C=CC(N(CC)CC)=C2)\N=C\OCC)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909532 |
