| SpectraBase Compound ID | L1mvh3sRjgr |
|---|---|
| InChI | InChI=1S/C8H7NO5/c1-14-8-6(11)3-2-5(4-10)7(8)9(12)13/h2-4,11H,1H3 |
| InChIKey | PHCNQUJHXJQLQR-UHFFFAOYSA-N |
| Mol Weight | 197.15 g/mol |
| Molecular Formula | C8H7NO5 |
| Exact Mass | 197.032422 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | ClFQ9ZwhPGb |
|---|---|
| Name | 2-Nitrovanillin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.032422324 u |
| Formula | C8H7NO5 |
| InChI | InChI=1S/C8H7NO5/c1-14-8-6(11)3-2-5(4-10)7(8)9(12)13/h2-4,11H,1H3 |
| InChIKey | PHCNQUJHXJQLQR-UHFFFAOYSA-N |
| SMILES | N(=O)(=O)C1=C(C(=CC=C1C=O)O)OC |
| Spectrum/Structure Validation Score (Raman) | 0.989041 |