| SpectraBase Compound ID | 6inLV27qIUU |
|---|---|
| InChI | InChI=1S/C19H12F17NO2/c1-2-39-11(38)8-10(37-9-6-4-3-5-7-9)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h3-7H,2,8H2,1H3/b37-10+ |
| InChIKey | AHJAIGIKEFNJCY-VXNPQCBGSA-N |
| Mol Weight | 609.28 g/mol |
| Molecular Formula | C19H12F17NO2 |
| Exact Mass | 609.059657 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CmFMOp62BNe |
|---|---|
| Name | Ethyl (E)-3-phenylimino-3-perfluorooctylpropanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 609.059657399 u |
| Formula | C19H12F17NO2 |
| InChI | InChI=1S/C19H12F17NO2/c1-2-39-11(38)8-10(37-9-6-4-3-5-7-9)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h3-7H,2,8H2,1H3/b37-10+ |
| InChIKey | AHJAIGIKEFNJCY-VXNPQCBGSA-N |
| Molecular Weight | 609.283 g/mol |
| SMILES | C(OCC)(=O)C\C(=N/c1ccccc1)C(C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C(F)(F)F)(F)F)(F)F)(F)F |