| SpectraBase Compound ID | 7KRtnNHhBtW |
|---|---|
| InChI | InChI=1S/C12H17NO4/c1-12(2,13(14)15)8-9-5-6-10(16-3)11(7-9)17-4/h5-7H,8H2,1-4H3 |
| InChIKey | WLGHMIJWWCFWRZ-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 | F5QzpanYKFE |
|---|---|
| Name | 1,2-Dimethoxy-4-(2-methyl-2-nitropropyl)benzene |
| 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(2,13(14)15)8-9-5-6-10(16-3)11(7-9)17-4/h5-7H,8H2,1-4H3 |
| InChIKey | WLGHMIJWWCFWRZ-UHFFFAOYSA-N |
| Molecular Weight | 239.271 g/mol |
| SMILES | N(=O)(=O)C(CC=1C=C(C(=CC1)OC)OC)(C)C |