| SpectraBase Compound ID | ACrP4ArydqZ |
|---|---|
| InChI | InChI=1S/C14H27ClO2/c1-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17-2/h13H,3-12H2,1-2H3 |
| InChIKey | CYDWWERUVQCBED-UHFFFAOYSA-N |
| Mol Weight | 262.82 g/mol |
| Molecular Formula | C14H27ClO2 |
| Exact Mass | 262.169958 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | B3hKKig1axL |
|---|---|
| Name | 2-Chlorotridecanoic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.169957807 u |
| Formula | C14H27ClO2 |
| InChI | InChI=1S/C14H27ClO2/c1-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17-2/h13H,3-12H2,1-2H3 |
| InChIKey | CYDWWERUVQCBED-UHFFFAOYSA-N |
| Molecular Weight | 262.821 g/mol |
| SMILES | C(CCCC)CCCCCCC(C(OC)=O)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.982796 |