| SpectraBase Compound ID | 5O64iZCPP7k |
|---|---|
| InChI | InChI=1S/C13H11ClO/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8,15H,9H2 |
| InChIKey | CSELFPNBUAQDMK-UHFFFAOYSA-N |
| Mol Weight | 218.68 g/mol |
| Molecular Formula | C13H11ClO |
| Exact Mass | 218.049843 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 93HeyRRRIZn |
|---|---|
| Name | para-(4-Chlor-benzyl)-phenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.049842673 u |
| Formula | C13H11ClO |
| InChI | InChI=1S/C13H11ClO/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8,15H,9H2 |
| InChIKey | CSELFPNBUAQDMK-UHFFFAOYSA-N |
| Molecular Weight | 218.683 g/mol |
| SMILES | C=1(O)C=CC(=CC1)CC1=CC=C(Cl)C=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.971866 |