| SpectraBase Compound ID | 67wsXG66kgR |
|---|---|
| InChI | InChI=1S/C9H11NO4/c1-13-6-7-3-4-9(14-2)8(5-7)10(11)12/h3-5H,6H2,1-2H3 |
| InChIKey | HPLRCLPAZJYINZ-UHFFFAOYSA-N |
| Mol Weight | 197.19 g/mol |
| Molecular Formula | C9H11NO4 |
| Exact Mass | 197.068808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | D0l1WGAbbNZ |
|---|---|
| Name | 4-Methoxy-3-nitrobenzyl alcohol, methyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.068807834 u |
| Formula | C9H11NO4 |
| InChI | InChI=1S/C9H11NO4/c1-13-6-7-3-4-9(14-2)8(5-7)10(11)12/h3-5H,6H2,1-2H3 |
| InChIKey | HPLRCLPAZJYINZ-UHFFFAOYSA-N |
| Molecular Weight | 197.190 g/mol |
| SMILES | C1(=CC(=C(C=C1)OC)N(=O)=O)COC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.883869 |