| SpectraBase Compound ID | IIuDiwjp7XN |
|---|---|
| InChI | InChI=1S/C21H37F3O4/c1-3-4-5-6-7-8-9-10-11-12-13-17-27-19(25)15-14-16-20(26)28-18(2)21(22,23)24/h18H,3-17H2,1-2H3 |
| InChIKey | AMXBJUOJUWCTQW-UHFFFAOYSA-N |
| Mol Weight | 410.5 g/mol |
| Molecular Formula | C21H37F3O4 |
| Exact Mass | 410.264394 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KAS9PCg8Oet |
|---|---|
| Name | Glutaric acid, 1,1,1-trifluoroprop-2-yl tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.264394156 u |
| Formula | C21H37F3O4 |
| InChI | InChI=1S/C21H37F3O4/c1-3-4-5-6-7-8-9-10-11-12-13-17-27-19(25)15-14-16-20(26)28-18(2)21(22,23)24/h18H,3-17H2,1-2H3 |
| InChIKey | AMXBJUOJUWCTQW-UHFFFAOYSA-N |
| Molecular Weight | 410.518 g/mol |
| SMILES | C(CCC(OC(C)C(F)(F)F)=O)C(OCCCCCCCCCCCCC)=O |