| SpectraBase Compound ID | GwpIfscpNYn |
|---|---|
| InChI | InChI=1S/C14H9F17N2O2/c1-4-3-6(35,33(32-4)5(2)34)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h35H,3H2,1-2H3 |
| InChIKey | JWAHICSAYIQPEE-UHFFFAOYSA-N |
| Mol Weight | 560.21 g/mol |
| Molecular Formula | C14H9F17N2O2 |
| Exact Mass | 560.039256 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GtJwrMLLoY2 |
|---|---|
| Name | 2-Pyrazolin-5-ol, 1-acetyl-5-perfluoroctyl-3-methyl- |
| Alternate Name(s) | 1-Acetyl-5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol 1-[5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-hydroxy-3-methyl-2-pyrazolin-1-yl]ethanone 1-[5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]ethanone 1-[5-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octyl]-3-methyl-5-oxidanyl-4H-pyrazol-1-yl]ethanone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H9F17N2O2 |
| InChI | InChI=1S/C14H9F17N2O2/c1-4-3-6(35,33(32-4)5(2)34)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h35H,3H2,1-2H3 |
| InChIKey | JWAHICSAYIQPEE-UHFFFAOYSA-N |
| Molecular Weight | 560.211 g/mol |
| SMILES | OC1(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N(N=C(C1)C)C(=O)C |
| SPLASH | splash10-0002-9300000000-dd9a21666d81ed3f7fa7 |
| Source of Spectrum | AD-0-2532-0 |
| Wiley ID | 1419969 |