| SpectraBase Compound ID | BKiixixwVWk |
|---|---|
| InChI | InChI=1S/C18H31F3O4/c1-3-4-5-6-7-8-9-10-14-24-16(22)12-11-13-17(23)25-15(2)18(19,20)21/h15H,3-14H2,1-2H3 |
| InChIKey | VQRFELYDJZSMJK-UHFFFAOYSA-N |
| Mol Weight | 368.44 g/mol |
| Molecular Formula | C18H31F3O4 |
| Exact Mass | 368.217444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F52uJLQADHb |
|---|---|
| Name | Glutaric acid, 1,1,1-trifluoroprop-2-yl decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.217443963 u |
| Formula | C18H31F3O4 |
| InChI | InChI=1S/C18H31F3O4/c1-3-4-5-6-7-8-9-10-14-24-16(22)12-11-13-17(23)25-15(2)18(19,20)21/h15H,3-14H2,1-2H3 |
| InChIKey | VQRFELYDJZSMJK-UHFFFAOYSA-N |
| Molecular Weight | 368.437 g/mol |
| SMILES | C(CCC(OC(C)C(F)(F)F)=O)C(OCCCCCCCCCC)=O |