| SpectraBase Compound ID | L8ymC5Nhf55 |
|---|---|
| InChI | InChI=1S/C9H9NO4/c1-5-3-4-7(10(13)14)6(2)8(5)9(11)12/h3-4H,1-2H3,(H,11,12) |
| InChIKey | GOGALNMBJIGJNW-UHFFFAOYSA-N |
| Mol Weight | 195.17 g/mol |
| Molecular Formula | C9H9NO4 |
| Exact Mass | 195.053158 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KJRMz8yQ6Rs |
|---|---|
| Name | 2,6-Dimethyl-3-nitrobenzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.053157770 u |
| Formula | C9H9NO4 |
| InChI | InChI=1S/C9H9NO4/c1-5-3-4-7(10(13)14)6(2)8(5)9(11)12/h3-4H,1-2H3,(H,11,12) |
| InChIKey | GOGALNMBJIGJNW-UHFFFAOYSA-N |
| Molecular Weight | 195.174 g/mol |
| SMILES | OC(C1=C(C=CC(=C1C)N(=O)=O)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.991406 |