| SpectraBase Spectrum ID |
8Dg1Fvwx93D |
| Name |
1-(3-Bromophenyl(pyridine-3-ylamino)methyl)naphthalene-2-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.052426174 u |
| Formula |
C22H17BrN2O |
| InChI |
InChI=1S/C22H17BrN2O/c23-17-7-3-6-16(13-17)22(25-18-8-4-12-24-14-18)21-19-9-2-1-5-15(19)10-11-20(21)26/h1-14,22,25-26H |
| InChIKey |
HVFFZJJBWPBRNE-UHFFFAOYSA-N |
| Molecular Weight |
405.295 g/mol |
| SMILES |
C1(C(C=2C=C(Br)C=CC2)NC=2C=NC=CC2)=C2C(C=CC=C2)=CC=C1O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92935 |
