| SpectraBase Compound ID | 2OYKazaSEai |
|---|---|
| InChI | InChI=1S/C6H13ClO/c1-3-6(2,8)4-5-7/h8H,3-5H2,1-2H3 |
| InChIKey | IPPWCUJAYBWKFJ-UHFFFAOYSA-N |
| Mol Weight | 136.62 g/mol |
| Molecular Formula | C6H13ClO |
| Exact Mass | 136.065493 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Aqlw9OrJbE7 |
|---|---|
| Name | 3-Pentanol, 1-chloro-3-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 136.065492738 u |
| Formula | C6H13ClO |
| InChI | InChI=1S/C6H13ClO/c1-3-6(2,8)4-5-7/h8H,3-5H2,1-2H3 |
| InChIKey | IPPWCUJAYBWKFJ-UHFFFAOYSA-N |
| Molecular Weight | 136.622 g/mol |
| SMILES | C(C(CC)(C)O)CCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.827618 |