| SpectraBase Compound ID | IPQcqVBiynz |
|---|---|
| InChI | InChI=1S/C17H19F5O4/c1-4-7-25-15(23)17(5-2,6-3)16(24)26-8-9-10(18)12(20)14(22)13(21)11(9)19/h4-8H2,1-3H3 |
| InChIKey | XCNMEECZLNVRAQ-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 | 5bv8xZCw3Mh |
|---|---|
| Name | Diethylmalonic acid, pentafluorobenzyl propyl 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/c1-4-7-25-15(23)17(5-2,6-3)16(24)26-8-9-10(18)12(20)14(22)13(21)11(9)19/h4-8H2,1-3H3 |
| InChIKey | XCNMEECZLNVRAQ-UHFFFAOYSA-N |
| Molecular Weight | 382.327 g/mol |
| SMILES | CCC(C(OCCC)=O)(C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)CC |