| SpectraBase Compound ID | ADNvPvA9S93 |
|---|---|
| InChI | InChI=1S/C12H20O5/c1-3-5-8-16-11(13)6-7-12(14)17-10-9-15-4-2/h6-7H,3-5,8-10H2,1-2H3/b7-6+ |
| InChIKey | LNFYGSPIXOVARU-VOTSOKGWSA-N |
| Mol Weight | 244.29 g/mol |
| Molecular Formula | C12H20O5 |
| Exact Mass | 244.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H5xgrK9WdtZ |
|---|---|
| Name | Fumaric acid, butyl 2-ethoxyethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.131073739 u |
| Formula | C12H20O5 |
| InChI | InChI=1S/C12H20O5/c1-3-5-8-16-11(13)6-7-12(14)17-10-9-15-4-2/h6-7H,3-5,8-10H2,1-2H3/b7-6+ |
| InChIKey | LNFYGSPIXOVARU-VOTSOKGWSA-N |
| Molecular Weight | 244.287 g/mol |
| SMILES | CCCCOC(\C=C\C(OCCOCC)=O)=O |