| SpectraBase Compound ID | KLYV4cyrSj4 |
|---|---|
| InChI | InChI=1S/C9H12N2O2/c1-7-4-5-8(10(2)3)9(6-7)11(12)13/h4-6H,1-3H3 |
| InChIKey | MCJOQKDJGJVDFY-UHFFFAOYSA-N |
| Mol Weight | 180.21 g/mol |
| Molecular Formula | C9H12N2O2 |
| Exact Mass | 180.089878 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3EbNNogClXo |
|---|---|
| Name | N,N-Dimethyl-2-nitro-p-toluidine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.089877632 u |
| Formula | C9H12N2O2 |
| InChI | InChI=1S/C9H12N2O2/c1-7-4-5-8(10(2)3)9(6-7)11(12)13/h4-6H,1-3H3 |
| InChIKey | MCJOQKDJGJVDFY-UHFFFAOYSA-N |
| Molecular Weight | 180.207 g/mol |
| SMILES | C1([N+]([O-])=O)=C(C=CC(=C1)C)N(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971166 |