| SpectraBase Compound ID | AQSTLvcC7iU |
|---|---|
| InChI | InChI=1S/C19H27NO6/c1-4-5-6-7-8-9-13-25-17(21)19(2,3)18(22)26-16-12-10-11-15(14-16)20(23)24/h10-12,14H,4-9,13H2,1-3H3 |
| InChIKey | HSUGNIVJFMUHOO-UHFFFAOYSA-N |
| Mol Weight | 365.43 g/mol |
| Molecular Formula | C19H27NO6 |
| Exact Mass | 365.183838 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2DwhrTGEoCQ |
|---|---|
| Name | Dimethylmalonic acid, 3-nitrophenyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 365.183837587 u |
| Formula | C19H27NO6 |
| InChI | InChI=1S/C19H27NO6/c1-4-5-6-7-8-9-13-25-17(21)19(2,3)18(22)26-16-12-10-11-15(14-16)20(23)24/h10-12,14H,4-9,13H2,1-3H3 |
| InChIKey | HSUGNIVJFMUHOO-UHFFFAOYSA-N |
| Molecular Weight | 365.426 g/mol |
| SMILES | CCCCCCCCOC(C(C(OC1=CC(=CC=C1)N(=O)=O)=O)(C)C)=O |