| SpectraBase Compound ID | LerATuerpWM |
|---|---|
| InChI | InChI=1S/C27H50O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-25-31-27(29)23-22-26(28)30-24-20-8-6-4-2/h22-23H,3-21,24-25H2,1-2H3/b23-22+ |
| InChIKey | ANECKRQBGQJACB-GHVJWSGMSA-N |
| Mol Weight | 438.7 g/mol |
| Molecular Formula | C27H50O4 |
| Exact Mass | 438.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AVS6LGOQztt |
|---|---|
| Name | Fumaric acid, heptadecyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 438.370910086 u |
| Formula | C27H50O4 |
| InChI | InChI=1S/C27H50O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-25-31-27(29)23-22-26(28)30-24-20-8-6-4-2/h22-23H,3-21,24-25H2,1-2H3/b23-22+ |
| InChIKey | ANECKRQBGQJACB-GHVJWSGMSA-N |
| Molecular Weight | 438.693 g/mol |
| SMILES | C(\C=C\C(OCCCCCCCCCCCCCCCCC)=O)(OCCCCCC)=O |