| SpectraBase Compound ID | 4HaTzWy02Pp |
|---|---|
| InChI | InChI=1S/C9H11ClO/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6,11H,3,5,7H2 |
| InChIKey | RROVHEOLZYPASG-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 | KH9a4RhlX7n |
|---|---|
| Name | Benzenepropanol, 2-chloro- |
| 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/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6,11H,3,5,7H2 |
| InChIKey | RROVHEOLZYPASG-UHFFFAOYSA-N |
| Molecular Weight | 170.639 g/mol |
| SMILES | OCCCC1=C(C=CC=C1)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.985356 |