| SpectraBase Compound ID | Funo8RciHD0 |
|---|---|
| InChI | InChI=1S/C13H25ClO2/c1-3-4-5-6-7-8-9-10-11-12(14)13(15)16-2/h12H,3-11H2,1-2H3 |
| InChIKey | LVITUWGEPWZWRD-UHFFFAOYSA-N |
| Mol Weight | 248.79 g/mol |
| Molecular Formula | C13H25ClO2 |
| Exact Mass | 248.154308 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LOz5LinsdVK |
|---|---|
| Name | 2-Chlorododecanoic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.154307743 u |
| Formula | C13H25ClO2 |
| InChI | InChI=1S/C13H25ClO2/c1-3-4-5-6-7-8-9-10-11-12(14)13(15)16-2/h12H,3-11H2,1-2H3 |
| InChIKey | LVITUWGEPWZWRD-UHFFFAOYSA-N |
| Molecular Weight | 248.794 g/mol |
| SMILES | C(CCC)CCCCCCC(C(OC)=O)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.991656 |