![2',4'-dimethyl-2-{[4-m-tolyl-5-(3,4,5-trimethoxyphenyl)triazol-3-yl]thio}acetophenone](/api/spectrum/4R02uhqxWmj/structure.png?h=300&w=458 "2',4'-dimethyl-2-{[4-m-tolyl-5-(3,4,5-trimethoxyphenyl)triazol-3-yl]thio}acetophenone")
| SpectraBase Compound ID | 8qvkjdExV1s |
|---|---|
| InChI | InChI=1S/C28H29N3O4S/c1-17-8-7-9-21(13-17)31-27(20-14-24(33-4)26(35-6)25(15-20)34-5)29-30-28(31)36-16-23(32)22-11-10-18(2)12-19(22)3/h7-15H,16H2,1-6H3 |
| InChIKey | FQIBDKSDKAJLAG-UHFFFAOYSA-N |
| Mol Weight | 503.62 g/mol |
| Molecular Formula | C28H29N3O4S |
| Exact Mass | 503.187878 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4R02uhqxWmj |
|---|---|
| Name | 2',4'-dimethyl-2-{[4-m-tolyl-5-(3,4,5-trimethoxyphenyl)triazol-3-yl]thio}acetophenone |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H29N3O4S |
| InChI | InChI=1S/C28H29N3O4S/c1-17-8-7-9-21(13-17)31-27(20-14-24(33-4)26(35-6)25(15-20)34-5)29-30-28(31)36-16-23(32)22-11-10-18(2)12-19(22)3/h7-15H,16H2,1-6H3 |
| InChIKey | FQIBDKSDKAJLAG-UHFFFAOYSA-N |
| Instrument Name | Varian A-60 |
| Sadtler NMR Number | 22076M |
| Solvent | CDCl3 |