| SpectraBase Compound ID | I6IG4KhuzSb |
|---|---|
| InChI | InChI=1S/C17H19F5O4/c1-3-4-5-8-25-10(23)6-7-11(24)26-9(2)12-13(18)15(20)17(22)16(21)14(12)19/h9H,3-8H2,1-2H3 |
| InChIKey | UYUXCQUZAUGHME-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 | 3bEB0Srp2gM |
|---|---|
| Name | Succinic acid, 1-(pentafluorophenyl)ethyl 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/c1-3-4-5-8-25-10(23)6-7-11(24)26-9(2)12-13(18)15(20)17(22)16(21)14(12)19/h9H,3-8H2,1-2H3 |
| InChIKey | UYUXCQUZAUGHME-UHFFFAOYSA-N |
| Molecular Weight | 382.327 g/mol |
| SMILES | C1(=C(C(=C(C(=C1F)F)C(OC(=O)CCC(OCCCCC)=O)C)F)F)F |