| SpectraBase Spectrum ID |
Bhzvi8NVHB2 |
| Name |
Oxazole, 5-(4-chlorophenyl)-2,5-dihydro-2,4-diphenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.092041838 u |
| Formula |
C21H16ClNO |
| InChI |
InChI=1S/C21H16ClNO/c22-18-13-11-16(12-14-18)20-19(15-7-3-1-4-8-15)23-21(24-20)17-9-5-2-6-10-17/h1-14,20-21H |
| InChIKey |
KBQPPSXYUCMLKC-UHFFFAOYSA-N |
| Molecular Weight |
333.818 g/mol |
| SMILES |
C1(OC(N=C1C1=CC=CC=C1)C=1C=CC=CC1)C1=CC=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861557 |
