![4,4'-bis[4-Methyl-2-pyrimidylsulfamido]terephthalanilide](/api/spectrum/LxDEqZtBnps/structure.png?h=300&w=458 "4,4'-bis[4-Methyl-2-pyrimidylsulfamido]terephthalanilide")
| SpectraBase Compound ID | HQ45x2aPBAs |
|---|---|
| InChI | InChI=1S/C30H26N8O6S2/c1-19-15-17-31-29(33-19)37-45(41,42)25-11-7-23(8-12-25)35-27(39)21-3-5-22(6-4-21)28(40)36-24-9-13-26(14-10-24)46(43,44)38-30-32-18-16-20(2)34-30/h3-18H,1-2H3,(H,35,39)(H,36,40)(H,31,33,37)(H,32,34,38) |
| InChIKey | HKCDRLPRLLXXFV-UHFFFAOYSA-N |
| Mol Weight | 658.71 g/mol |
| Molecular Formula | C30H26N8O6S2 |
| Exact Mass | 658.141673 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LxDEqZtBnps |
|---|---|
| Name | 4,4'-bis[4-Methyl-2-pyrimidylsulfamido]terephthalanilide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 658.141672931 u |
| Formula | C30H26N8O6S2 |
| InChI | InChI=1S/C30H26N8O6S2/c1-19-15-17-31-29(33-19)37-45(41,42)25-11-7-23(8-12-25)35-27(39)21-3-5-22(6-4-21)28(40)36-24-9-13-26(14-10-24)46(43,44)38-30-32-18-16-20(2)34-30/h3-18H,1-2H3,(H,35,39)(H,36,40)(H,31,33,37)(H,32,34,38) |
| InChIKey | HKCDRLPRLLXXFV-UHFFFAOYSA-N |
| SMILES | CC1=CC=NC(=N1)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C1=CC=C(C(NC2=CC=C(S(NC=3N=CC=C(C)N3)(=O)=O)C=C2)=O)C=C1 |