| SpectraBase Compound ID | AR21Sqv6Z2p |
|---|---|
| InChI | InChI=1S/C16H28O6/c1-13(7-9-19-3)11-21-15(17)5-6-16(18)22-12-14(2)8-10-20-4/h5-6,13-14H,7-12H2,1-4H3/b6-5+ |
| InChIKey | LEIRBZVAKFNPCE-AATRIKPKSA-N |
| Mol Weight | 316.39 g/mol |
| Molecular Formula | C16H28O6 |
| Exact Mass | 316.188589 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DNUiecwVzMa |
|---|---|
| Name | Fumaric acid, di(2-methyl-4-methoxybutyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.188588616 u |
| Formula | C16H28O6 |
| InChI | InChI=1S/C16H28O6/c1-13(7-9-19-3)11-21-15(17)5-6-16(18)22-12-14(2)8-10-20-4/h5-6,13-14H,7-12H2,1-4H3/b6-5+ |
| InChIKey | LEIRBZVAKFNPCE-AATRIKPKSA-N |
| Molecular Weight | 316.394 g/mol |
| SMILES | C(OC(\C=C\C(OCC(CCOC)C)=O)=O)C(C)CCOC |