| SpectraBase Compound ID | F1Pl6q73MrA |
|---|---|
| InChI | InChI=1S/C9H11NO3/c1-3-13-9-5-4-7(2)6-8(9)10(11)12/h4-6H,3H2,1-2H3 |
| InChIKey | QCDITDRNYKTXNM-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 | 9Nhf7GGDzwL |
|---|---|
| Name | 1-Ethoxy-4-methyl-2-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/c1-3-13-9-5-4-7(2)6-8(9)10(11)12/h4-6H,3H2,1-2H3 |
| InChIKey | QCDITDRNYKTXNM-UHFFFAOYSA-N |
| Molecular Weight | 181.191 g/mol |
| SMILES | C1=CC(=CC(=C1OCC)N(=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924835 |