| SpectraBase Compound ID | IJxG2q6ev8n |
|---|---|
| InChI | InChI=1S/C18H32O5/c1-4-5-6-7-8-9-13-22-17(19)10-11-18(20)23-15-16(2)12-14-21-3/h10-11,16H,4-9,12-15H2,1-3H3/b11-10+ |
| InChIKey | NDTHAMUEMRUFLK-ZHACJKMWSA-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 | IpuzmmuSYhl |
|---|---|
| Name | Fumaric acid, 2-methyl-4-methoxybutyl octyl 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/c1-4-5-6-7-8-9-13-22-17(19)10-11-18(20)23-15-16(2)12-14-21-3/h10-11,16H,4-9,12-15H2,1-3H3/b11-10+ |
| InChIKey | NDTHAMUEMRUFLK-ZHACJKMWSA-N |
| Molecular Weight | 328.449 g/mol |
| SMILES | C(OCC(CCOC)C)(\C=C\C(OCCCCCCCC)=O)=O |