| SpectraBase Compound ID | 6IH9bXrb7Q3 |
|---|---|
| InChI | InChI=1S/C16H25NO5/c1-4-5-6-7-8-9-22-12-13-10-15(20-2)16(21-3)11-14(13)17(18)19/h10-11H,4-9,12H2,1-3H3 |
| InChIKey | BYVHAVOUHJBOTM-UHFFFAOYSA-N |
| Mol Weight | 311.38 g/mol |
| Molecular Formula | C16H25NO5 |
| Exact Mass | 311.173273 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JVreYRvPXcX |
|---|---|
| Name | 1-Heptyloxymethyl-4,5-dimethoxy-2-nitrobenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.173272904 u |
| Formula | C16H25NO5 |
| InChI | InChI=1S/C16H25NO5/c1-4-5-6-7-8-9-22-12-13-10-15(20-2)16(21-3)11-14(13)17(18)19/h10-11H,4-9,12H2,1-3H3 |
| InChIKey | BYVHAVOUHJBOTM-UHFFFAOYSA-N |
| Molecular Weight | 311.378 g/mol |
| SMILES | C1(=C(C=C(C(=C1)OC)OC)N(=O)=O)COCCCCCCC |