| SpectraBase Compound ID | DCYj6oF4jAv |
|---|---|
| InChI | InChI=1S/C4H9ClO/c1-4(2,6)3-5/h6H,3H2,1-2H3 |
| InChIKey | JNOZGFXJZQXOSU-UHFFFAOYSA-N |
| Mol Weight | 108.57 g/mol |
| Molecular Formula | C4H9ClO |
| Exact Mass | 108.034193 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1LBGQdhMNRz |
|---|---|
| Name | 1-Chloro-2-methyl-2-propanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 108.034192609 u |
| Formula | C4H9ClO |
| InChI | InChI=1S/C4H9ClO/c1-4(2,6)3-5/h6H,3H2,1-2H3 |
| InChIKey | JNOZGFXJZQXOSU-UHFFFAOYSA-N |
| Molecular Weight | 108.568 g/mol |
| SMILES | OC(C)(CCl)C |
| Spectrum/Structure Validation Score (Raman) | 0.983241 |