![3,5-bis(trifluoromethyl)-O-{[1-methyl-5-(pyrrol-1-yl)pyrazol-4-yl]carbamoyl}benzamidoxime](/api/spectrum/LbsPTGIIxWp/structure.png?h=300&w=458 "3,5-bis(trifluoromethyl)-O-{[1-methyl-5-(pyrrol-1-yl)pyrazol-4-yl]carbamoyl}benzamidoxime")
| SpectraBase Compound ID | 1GZgkm9vezk |
|---|---|
| InChI | InChI=1S/C18H14F6N6O2/c1-29-15(30-4-2-3-5-30)13(9-26-29)27-16(31)32-28-14(25)10-6-11(17(19,20)21)8-12(7-10)18(22,23)24/h2-9H,1H3,(H2,25,28)(H,27,31) |
| InChIKey | IPORFPMJCVHPSZ-UHFFFAOYSA-N |
| Mol Weight | 460.34 g/mol |
| Molecular Formula | C18H14F6N6O2 |
| Exact Mass | 460.108243 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LbsPTGIIxWp |
|---|---|
| Name | 3,5-bis(trifluoromethyl)-O-{[1-methyl-5-(pyrrol-1-yl)pyrazol-4-yl]carbamoyl}benzamidoxime |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H14F6N6O2 |
| InChI | InChI=1S/C18H14F6N6O2/c1-29-15(30-4-2-3-5-30)13(9-26-29)27-16(31)32-28-14(25)10-6-11(17(19,20)21)8-12(7-10)18(22,23)24/h2-9H,1H3,(H2,25,28)(H,27,31) |
| InChIKey | IPORFPMJCVHPSZ-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 56606M |
| Solvent | CDCl3 |