| SpectraBase Compound ID | Bjn5btIp881 |
|---|---|
| InChI | InChI=1S/C15H23Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-14(19)15(16,17)18/h2-10,13H2,1H3 |
| InChIKey | IKJIABATPGGYLS-UHFFFAOYSA-N |
| Mol Weight | 341.71 g/mol |
| Molecular Formula | C15H23Cl3O2 |
| Exact Mass | 340.076363 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8odeNbZZNtH |
|---|---|
| Name | Trichloroacetic acid, tridec-2-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.076363079 u |
| Formula | C15H23Cl3O2 |
| InChI | InChI=1S/C15H23Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-14(19)15(16,17)18/h2-10,13H2,1H3 |
| InChIKey | IKJIABATPGGYLS-UHFFFAOYSA-N |
| Molecular Weight | 341.706 g/mol |
| SMILES | C(C(=O)OCC#CCCCCCCCCCC)(Cl)(Cl)Cl |