| SpectraBase Compound ID | C0Ux7MAj3Ux |
|---|---|
| InChI | InChI=1S/C17H10F13N3O4/c1-7-6-11(35,32(31-7)10(34)8-3-2-4-9(5-8)33(36)37)12(18,19)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h2-5,35H,6H2,1H3 |
| InChIKey | RZKRSOPDLBLIGV-UHFFFAOYSA-N |
| Mol Weight | 567.26 g/mol |
| Molecular Formula | C17H10F13N3O4 |
| Exact Mass | 567.046372 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | A4LH7IVk7Nu |
|---|---|
| Name | 2-Pyrazolin-5-ol, 5-perfluorohexyl-3-methyl-1-(3-nitrobenzoyl)- |
| Alternate Name(s) | 3-Methyl-1-(3-nitrobenzoyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-4,5-dihydro-1H-pyrazol-5-ol [3-methyl-5-oxidanyl-5-[1,1,2,2,3,3,4,4,5,5,6,6,6-tridecakis(fluoranyl)hexyl]-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone [5-hydroxy-3-methyl-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-2-pyrazolin-1-yl]-(3-nitrophenyl)methanone [5-hydroxy-3-methyl-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H10F13N3O4 |
| InChI | InChI=1S/C17H10F13N3O4/c1-7-6-11(35,32(31-7)10(34)8-3-2-4-9(5-8)33(36)37)12(18,19)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h2-5,35H,6H2,1H3 |
| InChIKey | RZKRSOPDLBLIGV-UHFFFAOYSA-N |
| Molecular Weight | 567.263 g/mol |
| SMILES | OC1(N(N=C(C1)C)C(c1cc(N(=O)=O)ccc1)=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| SPLASH | splash10-0udi-4930000000-b2f9559196953108f78f |
| Source of Spectrum | AD-0-2532-0 |
| Wiley ID | 1419975 |