| SpectraBase Compound ID | 6RKOpGDxfTt |
|---|---|
| InChI | InChI=1S/C13H12ClNO/c14-12-7-6-11(8-13(12)15)16-9-10-4-2-1-3-5-10/h1-8H,9,15H2 |
| InChIKey | PTNFMGSHHRLWHW-UHFFFAOYSA-N |
| Mol Weight | 233.7 g/mol |
| Molecular Formula | C13H12ClNO |
| Exact Mass | 233.060742 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 90ECvj5iJaT |
|---|---|
| Name | 5-(Benzyloxy)-2-chloroaniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.060741709 u |
| Formula | C13H12ClNO |
| InChI | InChI=1S/C13H12ClNO/c14-12-7-6-11(8-13(12)15)16-9-10-4-2-1-3-5-10/h1-8H,9,15H2 |
| InChIKey | PTNFMGSHHRLWHW-UHFFFAOYSA-N |
| Molecular Weight | 233.698 g/mol |
| SMILES | NC1=C(C=CC(=C1)OCC1=CC=CC=C1)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.818693 |