Molecule
![Molecular Image]()
13C nuclear magnetic resonance spectroscopy (13C NMR)
1H nuclear magnetic resonance spectroscopy (1H NMR)
fast-atom bombardment mass spectrometry (FABMS)
high-resolution mass spectrometry (HRMS)
infrared absorption spectroscopy (IR)
tris(2-methylpropyl) 2,4,6-triaminobenzene-1,3,5-tricarboxylate
Chemical Information
| InChI | InChI=1S/C21H33N3O6/c1-10(2)7-28-19(25)13-16(22)14(20(26)29-8-11(3)4)18(24)15(17(13)23)21(27)30-9-12(5)6/h10-12H,7-9,22-24H2,1-6H3 |
|---|---|
| SMILES | CC(COC(=O)c1c(N)c(C(=O)OCC(C)C)c(c(c1N)C(=O)OCC(C)C)N)C |
| InChI Key | MZVWXNMVEPSDOD-UHFFFAOYSA-N |
| Exact Mass | 423.503 g/mol |
5 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol9412 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 163407592 | pubchem |
| The data in this table is sourced from UniChem at EBI. | |