| SpectraBase Compound ID | KYnqgqPo5vh |
|---|---|
| InChI | InChI=1S/C24H44O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-22(25)18-19-23(26)28-21-24(2,3)4/h18-19H,5-17,20-21H2,1-4H3/b19-18+ |
| InChIKey | OYPVOHAUENXPJY-VHEBQXMUSA-N |
| Mol Weight | 396.6 g/mol |
| Molecular Formula | C24H44O4 |
| Exact Mass | 396.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JZrreVD9qGd |
|---|---|
| Name | Fumaric acid, neopentyl pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.323959893 u |
| Formula | C24H44O4 |
| InChI | InChI=1S/C24H44O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-22(25)18-19-23(26)28-21-24(2,3)4/h18-19H,5-17,20-21H2,1-4H3/b19-18+ |
| InChIKey | OYPVOHAUENXPJY-VHEBQXMUSA-N |
| Molecular Weight | 396.612 g/mol |
| SMILES | C(CCCCCCCCCOC(\C=C\C(OCC(C)(C)C)=O)=O)CCCCC |