| SpectraBase Compound ID | 1Sy1lqJd6Uq |
|---|---|
| InChI | InChI=1S/C9H9NO5/c1-5(11)7-3-6(15-2)4-8(9(7)12)10(13)14/h3-4,12H,1-2H3 |
| InChIKey | JCPSCOLEARDZDX-UHFFFAOYSA-N |
| Mol Weight | 211.17 g/mol |
| Molecular Formula | C9H9NO5 |
| Exact Mass | 211.048072 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EpPXKmoRUEI |
|---|---|
| Name | 2-Acetyl-4-methoxy-6-nitrophenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.048072389 u |
| Formula | C9H9NO5 |
| InChI | InChI=1S/C9H9NO5/c1-5(11)7-3-6(15-2)4-8(9(7)12)10(13)14/h3-4,12H,1-2H3 |
| InChIKey | JCPSCOLEARDZDX-UHFFFAOYSA-N |
| Molecular Weight | 211.173 g/mol |
| SMILES | C1=C(C(=C(C=C1OC)N(=O)=O)O)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976164 |