| SpectraBase Compound ID | EWDV1jM2Eqy |
|---|---|
| InChI | InChI=1S/C9H12N2O2/c1-2-6-10-8-4-3-5-9(7-8)11(12)13/h3-5,7,10H,2,6H2,1H3 |
| InChIKey | YNDCZIHAGOFRFB-UHFFFAOYSA-N |
| Mol Weight | 180.21 g/mol |
| Molecular Formula | C9H12N2O2 |
| Exact Mass | 180.089878 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IdzgFTwHd0E |
|---|---|
| Name | 3-Nitro-N-propylbenzeneamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.089877632 u |
| Formula | C9H12N2O2 |
| InChI | InChI=1S/C9H12N2O2/c1-2-6-10-8-4-3-5-9(7-8)11(12)13/h3-5,7,10H,2,6H2,1H3 |
| InChIKey | YNDCZIHAGOFRFB-UHFFFAOYSA-N |
| Molecular Weight | 180.207 g/mol |
| SMILES | C=1(C=C(C=CC1)N(=O)=O)NCCC |