| SpectraBase Compound ID | AE3pipsTYCl |
|---|---|
| InChI | InChI=1S/C11H15NO4/c1-8(2)16-7-9-4-5-10(12(13)14)11(6-9)15-3/h4-6,8H,7H2,1-3H3 |
| InChIKey | ITBKMUPJXCHJLM-UHFFFAOYSA-N |
| Mol Weight | 225.24 g/mol |
| Molecular Formula | C11H15NO4 |
| Exact Mass | 225.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Yw9I0PzwB5 |
|---|---|
| Name | 3-Methoxy-4-nitrobenzyl alcohol, isopropyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.100107963 u |
| Formula | C11H15NO4 |
| InChI | InChI=1S/C11H15NO4/c1-8(2)16-7-9-4-5-10(12(13)14)11(6-9)15-3/h4-6,8H,7H2,1-3H3 |
| InChIKey | ITBKMUPJXCHJLM-UHFFFAOYSA-N |
| Molecular Weight | 225.244 g/mol |
| SMILES | C1(=CC(=C(C=C1)N(=O)=O)OC)COC(C)C |