| SpectraBase Compound ID | JJz5YbjJ2g6 |
|---|---|
| InChI | InChI=1S/C18H21F5O4/c1-4-5-6-7-8-9-26-16(24)18(2,3)17(25)27-15-13(22)11(20)10(19)12(21)14(15)23/h4-9H2,1-3H3 |
| InChIKey | LNSUIGDRSARXOR-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 | 7lrefuM2nGA |
|---|---|
| Name | Dimethylmalonic acid, heptyl 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/c1-4-5-6-7-8-9-26-16(24)18(2,3)17(25)27-15-13(22)11(20)10(19)12(21)14(15)23/h4-9H2,1-3H3 |
| InChIKey | LNSUIGDRSARXOR-UHFFFAOYSA-N |
| Molecular Weight | 396.354 g/mol |
| SMILES | CCCCCCCOC(C(C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O)(C)C)=O |