| SpectraBase Compound ID | DOGR4SzNN9N |
|---|---|
| InChI | InChI=1S/C9H11NO2/c1-6-4-9(10(11)12)5-7(2)8(6)3/h4-5H,1-3H3 |
| InChIKey | BEAGEKZOSQKTBW-UHFFFAOYSA-N |
| Mol Weight | 165.19 g/mol |
| Molecular Formula | C9H11NO2 |
| Exact Mass | 165.078979 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8Mg4DAHhEyG |
|---|---|
| Name | 5-Nitro-1,2,3-trimethylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 165.078978596 u |
| Formula | C9H11NO2 |
| InChI | InChI=1S/C9H11NO2/c1-6-4-9(10(11)12)5-7(2)8(6)3/h4-5H,1-3H3 |
| InChIKey | BEAGEKZOSQKTBW-UHFFFAOYSA-N |
| Molecular Weight | 165.192 g/mol |
| SMILES | N(=O)(=O)C=1C=C(C(=C(C1)C)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.945613 |