| SpectraBase Compound ID | Jv3e97zPt7G |
|---|---|
| InChI | InChI=1S/C13H19F5O4/c1-4-9(8(2)3)22-11(20)6-5-10(19)21-7-12(14,15)13(16,17)18/h8-9H,4-7H2,1-3H3 |
| InChIKey | KVBWMNGCQNFWPN-UHFFFAOYSA-N |
| Mol Weight | 334.28 g/mol |
| Molecular Formula | C13H19F5O4 |
| Exact Mass | 334.12035 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4dP49tmNzhR |
|---|---|
| Name | Succinic acid, 2-methylpent-3-yl 2,2,3,3,3-pentafluoropropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.120349903 u |
| Formula | C13H19F5O4 |
| InChI | InChI=1S/C13H19F5O4/c1-4-9(8(2)3)22-11(20)6-5-10(19)21-7-12(14,15)13(16,17)18/h8-9H,4-7H2,1-3H3 |
| InChIKey | KVBWMNGCQNFWPN-UHFFFAOYSA-N |
| Molecular Weight | 334.283 g/mol |
| SMILES | C(CC(OC(CC)C(C)C)=O)C(OCC(C(F)(F)F)(F)F)=O |