| SpectraBase Compound ID | ABs193v1xZa |
|---|---|
| InChI | InChI=1S/C12H17NO4/c1-12(2,3)17-8-9-5-6-11(16-4)10(7-9)13(14)15/h5-7H,8H2,1-4H3 |
| InChIKey | VAZVNMTUMAIGSR-UHFFFAOYSA-N |
| Mol Weight | 239.27 g/mol |
| Molecular Formula | C12H17NO4 |
| Exact Mass | 239.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KzR0vEOpTBY |
|---|---|
| Name | 4-Methoxy-3-nitrobenzyl alcohol, tert.-butyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.115758027 u |
| Formula | C12H17NO4 |
| InChI | InChI=1S/C12H17NO4/c1-12(2,3)17-8-9-5-6-11(16-4)10(7-9)13(14)15/h5-7H,8H2,1-4H3 |
| InChIKey | VAZVNMTUMAIGSR-UHFFFAOYSA-N |
| Molecular Weight | 239.271 g/mol |
| SMILES | C1(=CC(=C(C=C1)OC)N(=O)=O)COC(C)(C)C |