| SpectraBase Compound ID | GAogEMjDfu3 |
|---|---|
| InChI | InChI=1S/C9H12N2O2/c1-6(2)8-4-3-7(10)5-9(8)11(12)13/h3-6H,10H2,1-2H3 |
| InChIKey | NTAJMBAZJSEPHL-UHFFFAOYSA-N |
| Mol Weight | 180.21 g/mol |
| Molecular Formula | C9H12N2O2 |
| Exact Mass | 180.089878 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | EMz9dw9TXxV |
|---|---|
| Name | 3-Nitrocumidine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.089877632 u |
| Formula | C9H12N2O2 |
| InChI | InChI=1S/C9H12N2O2/c1-6(2)8-4-3-7(10)5-9(8)11(12)13/h3-6H,10H2,1-2H3 |
| InChIKey | NTAJMBAZJSEPHL-UHFFFAOYSA-N |
| SMILES | NC1=CC=C(C(=C1)N(=O)=O)C(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.891118 |