| SpectraBase Compound ID | 8RnKAdV007d |
|---|---|
| InChI | InChI=1S/C8H8N2O4/c1-14-6-4-2-3-5(8(9)11)7(6)10(12)13/h2-4H,1H3,(H2,9,11) |
| InChIKey | MZGJDLQJIXSZRB-UHFFFAOYSA-N |
| Mol Weight | 196.16 g/mol |
| Molecular Formula | C8H8N2O4 |
| Exact Mass | 196.048407 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9xHF19YSUdZ |
|---|---|
| Name | m-Anisamide, 2-nitro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.048406742 u |
| Formula | C8H8N2O4 |
| InChI | InChI=1S/C8H8N2O4/c1-14-6-4-2-3-5(8(9)11)7(6)10(12)13/h2-4H,1H3,(H2,9,11) |
| InChIKey | MZGJDLQJIXSZRB-UHFFFAOYSA-N |
| SMILES | NC(C1=C(C(=CC=C1)OC)[N+]([O-])=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.990959 |