| SpectraBase Compound ID | E3ddI4G4bkT |
|---|---|
| InChI | InChI=1S/C18H21F5O4/c1-3-4-5-7-10(2)26-11(24)8-6-9-12(25)27-18-16(22)14(20)13(19)15(21)17(18)23/h10H,3-9H2,1-2H3 |
| InChIKey | FVHYNFYVSLACRT-UHFFFAOYSA-N |
| Mol Weight | 396.35 g/mol |
| Molecular Formula | C18H21F5O4 |
| Exact Mass | 396.136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | jYkoysGX0m |
|---|---|
| Name | Glutaric acid, hept-2-yl pentafluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.135999967 u |
| Formula | C18H21F5O4 |
| InChI | InChI=1S/C18H21F5O4/c1-3-4-5-7-10(2)26-11(24)8-6-9-12(25)27-18-16(22)14(20)13(19)15(21)17(18)23/h10H,3-9H2,1-2H3 |
| InChIKey | FVHYNFYVSLACRT-UHFFFAOYSA-N |
| Molecular Weight | 396.354 g/mol |
| SMILES | C(CCC(OC(C)CCCCC)=O)C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O |