| SpectraBase Compound ID | 3y0wG2itNIj |
|---|---|
| InChI | InChI=1S/C16H28O5/c1-3-4-5-6-7-8-9-12-20-15(17)10-11-16(18)21-14-13-19-2/h10-11H,3-9,12-14H2,1-2H3/b11-10+ |
| InChIKey | YTIPYWGPWNSPSP-ZHACJKMWSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C16H28O5 |
| Exact Mass | 300.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KG14Kyeb1c1 |
|---|---|
| Name | Fumaric acid, 2-methoxyethyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.193673997 u |
| Formula | C16H28O5 |
| InChI | InChI=1S/C16H28O5/c1-3-4-5-6-7-8-9-12-20-15(17)10-11-16(18)21-14-13-19-2/h10-11H,3-9,12-14H2,1-2H3/b11-10+ |
| InChIKey | YTIPYWGPWNSPSP-ZHACJKMWSA-N |
| Molecular Weight | 300.395 g/mol |
| SMILES | C(\C=C\C(OCCCCCCCCC)=O)(OCCOC)=O |