| SpectraBase Compound ID | tgmssLyQ96 |
|---|---|
| InChI | InChI=1S/C22H29N3OS/c1-4-5-6-7-8-11-18-13-15-19(16-14-18)21(26)25-22(27-3)24-20-12-9-10-17(2)23-20/h9-10,12-16H,4-8,11H2,1-3H3,(H,23,24,25,26) |
| InChIKey | XPVNISRBIMZKMK-UHFFFAOYSA-N |
| Mol Weight | 383.55 g/mol |
| Molecular Formula | C22H29N3OS |
| Exact Mass | 383.203134 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DbbKshNIDiK |
|---|---|
| Name | 3-(p-heptybenzoyl)-2-methyl-1-(6-methyl-2-pyridyl)-2-thiopseudourea |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H29N3OS |
| InChI | InChI=1S/C22H29N3OS/c1-4-5-6-7-8-11-18-13-15-19(16-14-18)21(26)25-22(27-3)24-20-12-9-10-17(2)23-20/h9-10,12-16H,4-8,11H2,1-3H3,(H,23,24,25,26) |
| InChIKey | XPVNISRBIMZKMK-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 46039M |
| Solvent | CDCl3 |