![N1-[2-Nitro-4-(trifluoromethyl)phenyl]-1,3-propanediamine](/api/spectrum/50LKDKeBXy4/structure.png?h=300&w=458 "N1-[2-Nitro-4-(trifluoromethyl)phenyl]-1,3-propanediamine")
| SpectraBase Compound ID | 7TUgNe3CAN2 |
|---|---|
| InChI | InChI=1S/C10H12F3N3O2/c11-10(12,13)7-2-3-8(15-5-1-4-14)9(6-7)16(17)18/h2-3,6,15H,1,4-5,14H2 |
| InChIKey | GPIAUHZGDZGEJK-UHFFFAOYSA-N |
| Mol Weight | 263.22 g/mol |
| Molecular Formula | C10H12F3N3O2 |
| Exact Mass | 263.088161 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 50LKDKeBXy4 |
|---|---|
| Name | N1-[2-Nitro-4-(trifluoromethyl)phenyl]-1,3-propanediamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.088161125 u |
| Formula | C10H12F3N3O2 |
| InChI | InChI=1S/C10H12F3N3O2/c11-10(12,13)7-2-3-8(15-5-1-4-14)9(6-7)16(17)18/h2-3,6,15H,1,4-5,14H2 |
| InChIKey | GPIAUHZGDZGEJK-UHFFFAOYSA-N |
| Molecular Weight | 263.220 g/mol |
| SMILES | C(F)(F)(F)C1=CC(=C(C=C1)NCCCN)N(=O)=O |