| SpectraBase Compound ID | L8peoRAcYGr |
|---|---|
| InChI | InChI=1S/C17H19F5O4/c1-2-3-4-8-25-11(23)6-5-7-12(24)26-9-10-13(18)15(20)17(22)16(21)14(10)19/h2-9H2,1H3 |
| InChIKey | BUAIGSVSKDNMNG-UHFFFAOYSA-N |
| Mol Weight | 382.33 g/mol |
| Molecular Formula | C17H19F5O4 |
| Exact Mass | 382.12035 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KwoV1OmOVzg |
|---|---|
| Name | Glutaric acid, pentafluorobenzyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.120349903 u |
| Formula | C17H19F5O4 |
| InChI | InChI=1S/C17H19F5O4/c1-2-3-4-8-25-11(23)6-5-7-12(24)26-9-10-13(18)15(20)17(22)16(21)14(10)19/h2-9H2,1H3 |
| InChIKey | BUAIGSVSKDNMNG-UHFFFAOYSA-N |
| Molecular Weight | 382.327 g/mol |
| SMILES | CCCCCOC(CCCC(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)=O |