| SpectraBase Compound ID | CB5BgMvigGt |
|---|---|
| InChI | InChI=1S/C20H30O7/c1-4-7-8-9-10-11-12-14-15(20(24)27-19(14)23)13-16(17(21)25-5-2)18(22)26-6-3/h16H,4-13H2,1-3H3 |
| InChIKey | PFIUDYNQIZUUGF-UHFFFAOYSA-N |
| Mol Weight | 382.45 g/mol |
| Molecular Formula | C20H30O7 |
| Exact Mass | 382.199153 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DRzq5v6Z5UN |
|---|---|
| Name | 2-(.beta.-gem-Dicarbethoxy)ethyl-3-octylmaleic anhydride |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.199153299 u |
| Formula | C20H30O7 |
| InChI | InChI=1S/C20H30O7/c1-4-7-8-9-10-11-12-14-15(20(24)27-19(14)23)13-16(17(21)25-5-2)18(22)26-6-3/h16H,4-13H2,1-3H3 |
| InChIKey | PFIUDYNQIZUUGF-UHFFFAOYSA-N |
| Molecular Weight | 382.453 g/mol |
| SMILES | C=1(C(OC(C1CCCCCCCC)=O)=O)CC(C(=O)OCC)C(=O)OCC |