| SpectraBase Compound ID | AoiZoTgKM29 |
|---|---|
| InChI | InChI=1S/C14H21F3O4/c1-3-4-5-6-10-20-12(18)8-7-9-13(19)21-11(2)14(15,16)17/h3-4,11H,5-10H2,1-2H3/b4-3+ |
| InChIKey | YGHNWMIITOXCGI-ONEGZZNKSA-N |
| Mol Weight | 310.31 g/mol |
| Molecular Formula | C14H21F3O4 |
| Exact Mass | 310.139194 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7T2rcgT0X2e |
|---|---|
| Name | Glutaric acid, hex-4-en-1-yl 1,1,1-trifluoroprop-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.139193641 u |
| Formula | C14H21F3O4 |
| InChI | InChI=1S/C14H21F3O4/c1-3-4-5-6-10-20-12(18)8-7-9-13(19)21-11(2)14(15,16)17/h3-4,11H,5-10H2,1-2H3/b4-3+ |
| InChIKey | YGHNWMIITOXCGI-ONEGZZNKSA-N |
| Molecular Weight | 310.313 g/mol |
| SMILES | C(CCC(OC(C)C(F)(F)F)=O)C(OCCC\C=C\C)=O |