| SpectraBase Compound ID | Kd1A9cjtpOd |
|---|---|
| InChI | InChI=1S/C4H7ClO2/c1-2-4(6)7-3-5/h2-3H2,1H3 |
| InChIKey | BTBBPNVBJSIADI-UHFFFAOYSA-N |
| Mol Weight | 122.55 g/mol |
| Molecular Formula | C4H7ClO2 |
| Exact Mass | 122.013457 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GsmC6AqEQit |
|---|---|
| Name | Chloromethanol, propionate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 122.013457163 u |
| Formula | C4H7ClO2 |
| InChI | InChI=1S/C4H7ClO2/c1-2-4(6)7-3-5/h2-3H2,1H3 |
| InChIKey | BTBBPNVBJSIADI-UHFFFAOYSA-N |
| Molecular Weight | 122.551 g/mol |
| SMILES | C(Cl)OC(CC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.947503 |