| SpectraBase Compound ID | CywHZo5CyDj |
|---|---|
| InChI | InChI=1S/C9H6N2O4/c1-10-8(12)6-3-2-5(11(14)15)4-7(6)9(10)13/h2-4H,1H3 |
| InChIKey | JBCHWGTZAAZJKG-UHFFFAOYSA-N |
| Mol Weight | 206.16 g/mol |
| Molecular Formula | C9H6N2O4 |
| Exact Mass | 206.032757 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8BmbNXgHi35 |
|---|---|
| Name | 4-Nitro-N-methylphthalimide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.032756677 u |
| Formula | C9H6N2O4 |
| InChI | InChI=1S/C9H6N2O4/c1-10-8(12)6-3-2-5(11(14)15)4-7(6)9(10)13/h2-4H,1H3 |
| InChIKey | JBCHWGTZAAZJKG-UHFFFAOYSA-N |
| Molecular Weight | 206.157 g/mol |
| SMILES | C1([N+](=O)[O-])=CC2=C(C(=O)N(C2=O)C)C=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.993232 |