| SpectraBase Compound ID | 3u4NnYelUkY |
|---|---|
| InChI | InChI=1S/C7H13ClO2/c1-2-3-4-5-7(9)10-6-8/h2-6H2,1H3 |
| InChIKey | HNUBMUSOXKDQIN-UHFFFAOYSA-N |
| Mol Weight | 164.63 g/mol |
| Molecular Formula | C7H13ClO2 |
| Exact Mass | 164.060407 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GR4FEvTEhpD |
|---|---|
| Name | Chloromethanol, hexanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.060407357 u |
| Formula | C7H13ClO2 |
| InChI | InChI=1S/C7H13ClO2/c1-2-3-4-5-7(9)10-6-8/h2-6H2,1H3 |
| InChIKey | HNUBMUSOXKDQIN-UHFFFAOYSA-N |
| Molecular Weight | 164.632 g/mol |
| SMILES | C(Cl)OC(CCCCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.957615 |