| SpectraBase Compound ID | I6kW3aQC8gF |
|---|---|
| InChI | InChI=1S/C17H30O5/c1-3-5-6-7-8-9-10-13-21-16(18)11-12-17(19)22-15-14-20-4-2/h11-12H,3-10,13-15H2,1-2H3/b12-11+ |
| InChIKey | VEEAGYSEPBJCPH-VAWYXSNFSA-N |
| Mol Weight | 314.42 g/mol |
| Molecular Formula | C17H30O5 |
| Exact Mass | 314.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5i2PLjLwdZI |
|---|---|
| Name | Fumaric acid, 2-ethoxyethyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.209324061 u |
| Formula | C17H30O5 |
| InChI | InChI=1S/C17H30O5/c1-3-5-6-7-8-9-10-13-21-16(18)11-12-17(19)22-15-14-20-4-2/h11-12H,3-10,13-15H2,1-2H3/b12-11+ |
| InChIKey | VEEAGYSEPBJCPH-VAWYXSNFSA-N |
| SMILES | C(\C=C\C(OCCCCCCCCC)=O)(OCCOCC)=O |