| SpectraBase Compound ID | 1kWTOCvHj6J |
|---|---|
| InChI | InChI=1S/C9H11ClO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,9,11H,2H2,1H3 |
| InChIKey | TXAWBKBMGZKBNN-UHFFFAOYSA-N |
| Mol Weight | 170.64 g/mol |
| Molecular Formula | C9H11ClO |
| Exact Mass | 170.049843 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2scnSAxI6LH |
|---|---|
| Name | p-Chloro-alpha-ethylbenzyl alcohol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.049842673 u |
| Formula | C9H11ClO |
| InChI | InChI=1S/C9H11ClO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,9,11H,2H2,1H3 |
| InChIKey | TXAWBKBMGZKBNN-UHFFFAOYSA-N |
| Molecular Weight | 170.639 g/mol |
| SMILES | OC(C1=CC=C(C=C1)Cl)CC |
| Spectrum/Structure Validation Score (Raman) | 0.970604 |