![N,N'-bis[2-Methyl-5-nitrophenyl]urea](/api/spectrum/LU6RSdbUdTi/structure.png?h=300&w=458 "N,N'-bis[2-Methyl-5-nitrophenyl]urea")
| SpectraBase Compound ID | 2CKoROvbi98 |
|---|---|
| InChI | InChI=1S/C15H14N4O5/c1-9-3-5-11(18(21)22)7-13(9)16-15(20)17-14-8-12(19(23)24)6-4-10(14)2/h3-8H,1-2H3,(H2,16,17,20) |
| InChIKey | VDHQJGHQZCITBD-UHFFFAOYSA-N |
| Mol Weight | 330.3 g/mol |
| Molecular Formula | C15H14N4O5 |
| Exact Mass | 330.09642 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LU6RSdbUdTi |
|---|---|
| Name | N,N'-bis[2-Methyl-5-nitrophenyl]urea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.096419562 u |
| Formula | C15H14N4O5 |
| InChI | InChI=1S/C15H14N4O5/c1-9-3-5-11(18(21)22)7-13(9)16-15(20)17-14-8-12(19(23)24)6-4-10(14)2/h3-8H,1-2H3,(H2,16,17,20) |
| InChIKey | VDHQJGHQZCITBD-UHFFFAOYSA-N |
| Molecular Weight | 330.300 g/mol |
| SMILES | C1=C(NC(=O)NC2=CC(=CC=C2C)N(=O)=O)C(=CC=C1N(=O)=O)C |