![2-thio-1-{o-{2-{[2-thio-3-(3,5-xylyl)ureido]carbonyl}-4-nitroanilino}benzoyl}-3-(3,5-xylyl)urea](/api/spectrum/KjHT0X8sKKs/structure.png?h=300&w=458 "2-thio-1-{o-{2-{[2-thio-3-(3,5-xylyl)ureido]carbonyl}-4-nitroanilino}benzoyl}-3-(3,5-xylyl)urea")
| SpectraBase Compound ID | 7l3KpuFXi03 |
|---|---|
| InChI | InChI=1S/C32H30N6O4S2/c1-18-11-19(2)14-22(13-18)33-31(43)36-29(39)25-7-5-6-8-27(25)35-28-10-9-24(38(41)42)17-26(28)30(40)37-32(44)34-23-15-20(3)12-21(4)16-23/h5-17,35H,1-4H3,(H2,33,36,39,43)(H2,34,37,40,44) |
| InChIKey | GQKSYOMWEOGABQ-UHFFFAOYSA-N |
| Mol Weight | 626.8 g/mol |
| Molecular Formula | C32H30N6O4S2 |
| Exact Mass | 626.176996 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KjHT0X8sKKs |
|---|---|
| Name | 2-thio-1-{o-{2-{[2-thio-3-(3,5-xylyl)ureido]carbonyl}-4-nitroanilino}benzoyl}-3-(3,5-xylyl)urea |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H30N6O4S2 |
| InChI | InChI=1S/C32H30N6O4S2/c1-18-11-19(2)14-22(13-18)33-31(43)36-29(39)25-7-5-6-8-27(25)35-28-10-9-24(38(41)42)17-26(28)30(40)37-32(44)34-23-15-20(3)12-21(4)16-23/h5-17,35H,1-4H3,(H2,33,36,39,43)(H2,34,37,40,44) |
| InChIKey | GQKSYOMWEOGABQ-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 33106M |
| Solvent | Polysol |