| SpectraBase Spectrum ID |
5X6amSLka2o |
| Name |
6-Chloranyl-2-[2-(4-methylphenyl)-1,1-diphenyl-ethyl]-3,1-benzoxazin-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
451.133906650 u |
| Formula |
C29H22ClNO2 |
| InChI |
InChI=1S/C29H22ClNO2/c1-20-12-14-21(15-13-20)19-29(22-8-4-2-5-9-22,23-10-6-3-7-11-23)28-31-26-17-16-24(30)18-25(26)27(32)33-28/h2-18H,19H2,1H3 |
| InChIKey |
VEESHXMYVOMJDW-UHFFFAOYSA-N |
| Molecular Weight |
451.953 g/mol |
| SMILES |
C1(=NC=2C(C(O1)=O)=CC(=CC2)Cl)C(CC=1C=CC(=CC1)C)(C=1C=CC=CC1)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839047 |
![6-Chloranyl-2-[2-(4-methylphenyl)-1,1-diphenyl-ethyl]-3,1-benzoxazin-4-one](/api/spectrum/5X6amSLka2o/structure.png?h=300&w=458 "6-Chloranyl-2-[2-(4-methylphenyl)-1,1-diphenyl-ethyl]-3,1-benzoxazin-4-one")
