| SpectraBase Compound ID | GhnuX7jASAA |
|---|---|
| InChI | InChI=1S/C9H11NO3/c1-13-7-6-8-2-4-9(5-3-8)10(11)12/h2-5H,6-7H2,1H3 |
| InChIKey | VZUJQBDFJZRCBQ-UHFFFAOYSA-N |
| Mol Weight | 181.19 g/mol |
| Molecular Formula | C9H11NO3 |
| Exact Mass | 181.073893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J8ZsV0igBcR |
|---|---|
| Name | 1-(2-Methoxyethyl)-4-nitrobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.073893215 u |
| Formula | C9H11NO3 |
| InChI | InChI=1S/C9H11NO3/c1-13-7-6-8-2-4-9(5-3-8)10(11)12/h2-5H,6-7H2,1H3 |
| InChIKey | VZUJQBDFJZRCBQ-UHFFFAOYSA-N |
| Molecular Weight | 181.191 g/mol |
| SMILES | COCCC=1C=CC(=CC1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.88501 |