| SpectraBase Compound ID | HRjGC1AGKET |
|---|---|
| InChI | InChI=1S/C20H31ClO2/c1-3-5-6-7-8-9-10-11-14-17(4-2)23-20(22)18-15-12-13-16-19(18)21/h12-13,15-17H,3-11,14H2,1-2H3 |
| InChIKey | STPUHZZTPBQLLR-UHFFFAOYSA-N |
| Mol Weight | 338.92 g/mol |
| Molecular Formula | C20H31ClO2 |
| Exact Mass | 338.201258 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Li0xr3YS0Vq |
|---|---|
| Name | 2-Chlorobenzoic acid, 3-tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.201257936 u |
| Formula | C20H31ClO2 |
| InChI | InChI=1S/C20H31ClO2/c1-3-5-6-7-8-9-10-11-14-17(4-2)23-20(22)18-15-12-13-16-19(18)21/h12-13,15-17H,3-11,14H2,1-2H3 |
| InChIKey | STPUHZZTPBQLLR-UHFFFAOYSA-N |
| Molecular Weight | 338.919 g/mol |
| SMILES | C1=CC=C(C(=C1)Cl)C(OC(CCCCCCCCCC)CC)=O |