| SpectraBase Compound ID | 7TfJVwMnbOp |
|---|---|
| InChI | InChI=1S/C10H13NO4/c1-7(2)15-9-5-4-8(11(12)13)6-10(9)14-3/h4-7H,1-3H3 |
| InChIKey | RYPKJYFTUYYSFV-UHFFFAOYSA-N |
| Mol Weight | 211.22 g/mol |
| Molecular Formula | C10H13NO4 |
| Exact Mass | 211.084458 g/mol |
| SpectraBase Spectrum ID | 3mOqyRh5Kfa |
|---|---|
| Name | 2-Methoxy-4-nitro-1-(propan-2-yloxy)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.084457899 u |
| Formula | C10H13NO4 |
| InChI | InChI=1S/C10H13NO4/c1-7(2)15-9-5-4-8(11(12)13)6-10(9)14-3/h4-7H,1-3H3 |
| InChIKey | RYPKJYFTUYYSFV-UHFFFAOYSA-N |
| Molecular Weight | 211.217 g/mol |
| SMILES | C=1C(=C(C=C(N(=O)=O)C1)OC)OC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.86189 |