| SpectraBase Spectrum ID |
1xlUANAsRHK |
| Name |
2H-1,4-Benzoxazine,2,2'-oxybis[3-(4-bromophenyl)-, (R*,S*)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
587.968418445 u |
| Formula |
C28H18Br2N2O3 |
| InChI |
InChI=1S/C28H18Br2N2O3/c29-19-13-9-17(10-14-19)25-27(33-23-7-3-1-5-21(23)31-25)35-28-26(18-11-15-20(30)16-12-18)32-22-6-2-4-8-24(22)34-28/h1-16,27-28H/t27-,28+ |
| InChIKey |
SBTIFZVCZUEOJG-HNRBIFIRSA-N |
| Molecular Weight |
590.271 g/mol |
| SMILES |
C1(=NC=2C(O[C@@]1(O[C@]1(C(=NC=3C(O1)=CC=CC3)C=1C=CC(=CC1)Br)[H])[H])=CC=CC2)C1=CC=C(C=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939064 |
