| SpectraBase Compound ID | 4q4CB9WjxKm |
|---|---|
| InChI | InChI=1S/C8H9NO3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3 |
| InChIKey | OPJOGXGWTIGBAC-UHFFFAOYSA-N |
| Mol Weight | 167.16 g/mol |
| Molecular Formula | C8H9NO3 |
| Exact Mass | 167.058243 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DQabnbwl8N3 |
|---|---|
| Name | 1-Methoxy-3-(nitromethyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.058243151 u |
| Formula | C8H9NO3 |
| InChI | InChI=1S/C8H9NO3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3 |
| InChIKey | OPJOGXGWTIGBAC-UHFFFAOYSA-N |
| SMILES | C(N(=O)=O)C=1C=C(OC)C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925314 |