| SpectraBase Compound ID | EAVe2oWYG2Z |
|---|---|
| InChI | InChI=1S/C18H32O5/c1-3-4-5-6-7-8-9-10-11-14-22-17(19)12-13-18(20)23-16-15-21-2/h12-13H,3-11,14-16H2,1-2H3/b13-12+ |
| InChIKey | CTYRXQVZOQIMSQ-OUKQBFOZSA-N |
| Mol Weight | 328.4 g/mol |
| Molecular Formula | C18H32O5 |
| Exact Mass | 328.224974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EqTm3kLYkU8 |
|---|---|
| Name | Fumaric acid, 2-methoxyethyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.224974125 u |
| Formula | C18H32O5 |
| InChI | InChI=1S/C18H32O5/c1-3-4-5-6-7-8-9-10-11-14-22-17(19)12-13-18(20)23-16-15-21-2/h12-13H,3-11,14-16H2,1-2H3/b13-12+ |
| InChIKey | CTYRXQVZOQIMSQ-OUKQBFOZSA-N |
| Molecular Weight | 328.449 g/mol |
| SMILES | C(COC(\C=C\C(OCCOC)=O)=O)CCCCCCCCC |