SpectraBase Spectrum ID |
6BOGPTr7NIh |
Name |
2-(2-(4-Chlorobenzyl)-6-methylphenyl)-4,5-dihydrooxazole |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
285.092041838 u |
Formula |
C17H16ClNO |
InChI |
InChI=1S/C17H16ClNO/c1-12-3-2-4-14(16(12)17-19-9-10-20-17)11-13-5-7-15(18)8-6-13/h2-8H,9-11H2,1H3 |
InChIKey |
PZEALUZQCXHKOO-UHFFFAOYSA-N |
SMILES |
C=1(C(=CC=CC1C)CC=1C=CC(=CC1)Cl)C=1OCCN1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904785 |