| SpectraBase Spectrum ID |
1ho2QS6QaIM |
| Name |
1,3-Oxazepine, 7-(4-bromophenyl)-2,4,5-triphenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
477.072827267 u |
| Formula |
C29H20BrNO |
| InChI |
InChI=1S/C29H20BrNO/c30-25-18-16-22(17-19-25)27-20-26(21-10-4-1-5-11-21)28(23-12-6-2-7-13-23)31-29(32-27)24-14-8-3-9-15-24/h1-20H |
| InChIKey |
OHZLXBQLSIDJRE-UHFFFAOYSA-N |
| Molecular Weight |
478.389 g/mol |
| SMILES |
C=1(N=C(OC(=CC1C1=CC=CC=C1)C=1C=CC(=CC1)Br)C1=CC=CC=C1)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932983 |
