| SpectraBase Compound ID | K1Y9sKC5iss |
|---|---|
| InChI | InChI=1S/C18H32O6/c1-15(7-11-21-3)9-13-23-17(19)5-6-18(20)24-14-10-16(2)8-12-22-4/h5-6,15-16H,7-14H2,1-4H3/b6-5+ |
| InChIKey | CFFSEUBZBIUMFL-AATRIKPKSA-N |
| Mol Weight | 344.4 g/mol |
| Molecular Formula | C18H32O6 |
| Exact Mass | 344.219889 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JFoRWjumNc2 |
|---|---|
| Name | Fumaric acid, di(5-methoxy-3-methylpentyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.219888744 u |
| Formula | C18H32O6 |
| InChI | InChI=1S/C18H32O6/c1-15(7-11-21-3)9-13-23-17(19)5-6-18(20)24-14-10-16(2)8-12-22-4/h5-6,15-16H,7-14H2,1-4H3/b6-5+ |
| InChIKey | CFFSEUBZBIUMFL-AATRIKPKSA-N |
| Molecular Weight | 344.448 g/mol |
| SMILES | C(OC(\C=C\C(OCCC(CCOC)C)=O)=O)CC(CCOC)C |