![4'-chloro-2-{[4-(3-methoxypropyl)-5-(2-methyl-4-thiazolyl)-4H-1,2,4-triazole-3-yl]thio}acetophenone](/api/spectrum/5O75CrPTGxc/structure.png?h=300&w=458 "4'-chloro-2-{[4-(3-methoxypropyl)-5-(2-methyl-4-thiazolyl)-4H-1,2,4-triazole-3-yl]thio}acetophenone")
| SpectraBase Compound ID | 3BNaLE8qooT |
|---|---|
| InChI | InChI=1S/C18H19ClN4O2S2/c1-12-20-15(10-26-12)17-21-22-18(23(17)8-3-9-25-2)27-11-16(24)13-4-6-14(19)7-5-13/h4-7,10H,3,8-9,11H2,1-2H3 |
| InChIKey | UNMZPXGKEZDIIS-UHFFFAOYSA-N |
| Mol Weight | 422.95 g/mol |
| Molecular Formula | C18H19ClN4O2S2 |
| Exact Mass | 422.063796 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5O75CrPTGxc |
|---|---|
| Name | 4'-chloro-2-{[4-(3-methoxypropyl)-5-(2-methyl-4-thiazolyl)-4H-1,2,4-triazole-3-yl]thio}acetophenone |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H19ClN4O2S2 |
| InChI | InChI=1S/C18H19ClN4O2S2/c1-12-20-15(10-26-12)17-21-22-18(23(17)8-3-9-25-2)27-11-16(24)13-4-6-14(19)7-5-13/h4-7,10H,3,8-9,11H2,1-2H3 |
| InChIKey | UNMZPXGKEZDIIS-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 58568M |
| Solvent | CDCl3 |