![2-{{5-[(2,6-dichlorobenzyl)thio]-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl}methyl}-5-(alpha,alpha,alpha,alpha',lapha',alpha'-hexafluoro-3,5-xylyl)-2H-tetrazole](/api/spectrum/AYPLi2AemtQ/structure.png?h=300&w=458 "2-{{5-[(2,6-dichlorobenzyl)thio]-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl}methyl}-5-(alpha,alpha,alpha,alpha',lapha',alpha'-hexafluoro-3,5-xylyl)-2H-tetrazole")
| SpectraBase Compound ID | JzCIN199kB7 |
|---|---|
| InChI | InChI=1S/C25H13Cl4F6N7S/c26-17-2-1-3-18(27)16(17)11-43-23-38-36-21(42(23)15-4-5-19(28)20(29)9-15)10-41-39-22(37-40-41)12-6-13(24(30,31)32)8-14(7-12)25(33,34)35/h1-9H,10-11H2 |
| InChIKey | MRLQNLRDFYVFOB-UHFFFAOYSA-N |
| Mol Weight | 699.3 g/mol |
| Molecular Formula | C25H13Cl4F6N7S |
| Exact Mass | 696.961144 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AYPLi2AemtQ |
|---|---|
| Name | 2-{{5-[(2,6-dichlorobenzyl)thio]-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl}methyl}-5-(alpha,alpha,alpha,alpha',lapha',alpha'-hexafluoro-3,5-xylyl)-2H-tetrazole |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H13Cl4F6N7S |
| InChI | InChI=1S/C25H13Cl4F6N7S/c26-17-2-1-3-18(27)16(17)11-43-23-38-36-21(42(23)15-4-5-19(28)20(29)9-15)10-41-39-22(37-40-41)12-6-13(24(30,31)32)8-14(7-12)25(33,34)35/h1-9H,10-11H2 |
| InChIKey | MRLQNLRDFYVFOB-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 59224M |
| Solvent | CDCl3 |