![Methyl 2-[1'-isoquinolinyl]perfluoropropionate](/api/spectrum/J3d9kddnxUw/structure.png?h=300&w=458 "Methyl 2-[1'-isoquinolinyl]perfluoropropionate")
| SpectraBase Compound ID | LdRvfnOoJ9m |
|---|---|
| InChI | InChI=1S/C13H9F4NO2/c1-20-11(19)12(14,13(15,16)17)10-9-5-3-2-4-8(9)6-7-18-10/h2-7H,1H3 |
| InChIKey | NQTDEWCUBNNOAT-UHFFFAOYSA-N |
| Mol Weight | 287.21 g/mol |
| Molecular Formula | C13H9F4NO2 |
| Exact Mass | 287.056941 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | J3d9kddnxUw |
|---|---|
| Name | Methyl 2-[1'-isoquinolinyl]perfluoropropionate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H9F4NO2 |
| InChI | InChI=1S/C13H9F4NO2/c1-20-11(19)12(14,13(15,16)17)10-9-5-3-2-4-8(9)6-7-18-10/h2-7H,1H3 |
| InChIKey | NQTDEWCUBNNOAT-UHFFFAOYSA-N |
| Molecular Weight | 287.214 g/mol |
| SMILES | C(c1c2c(cccc2)ccn1)(C(F)(F)F)(C(=O)OC)F |
| SPLASH | splash10-00bi-0390000000-133cff30d67835c8b314 |
| Source of Spectrum | QE-14-2585-5i |
| Wiley ID | 1692021 |