| SpectraBase Compound ID | 1CyC0I1wnDp |
|---|---|
| InChI | InChI=1S/C13H10ClNO/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8,13,15H |
| InChIKey | QBJJGSATKYDCLK-UHFFFAOYSA-N |
| Mol Weight | 231.68 g/mol |
| Molecular Formula | C13H10ClNO |
| Exact Mass | 231.045092 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1SN653sHwT9 |
|---|---|
| Name | 2-(p-Chlorophenyl)benzoxazoline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.045091645 u |
| Formula | C13H10ClNO |
| InChI | InChI=1S/C13H10ClNO/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8,13,15H |
| InChIKey | QBJJGSATKYDCLK-UHFFFAOYSA-N |
| SMILES | N1C=2C=CC=CC2OC1C=1C=CC(=CC1)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.983108 |