| SpectraBase Compound ID | 8vV4bU99InL |
|---|---|
| InChI | InChI=1S/C17H26O4/c1-12(2)4-3-9-20-16(18)7-8-17(19)21-15-11-13-5-6-14(15)10-13/h7-8,12-15H,3-6,9-11H2,1-2H3/b8-7+/t13-,14+,15+/m1/s1 |
| InChIKey | WILFTFAKNQAQCA-GCKSTJDKSA-N |
| Mol Weight | 294.39 g/mol |
| Molecular Formula | C17H26O4 |
| Exact Mass | 294.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DeblcZVFsVs |
|---|---|
| Name | Fumaric acid, isohexyl 2-norbornyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.183109313 u |
| Formula | C17H26O4 |
| InChI | InChI=1S/C17H26O4/c1-12(2)4-3-9-20-16(18)7-8-17(19)21-15-11-13-5-6-14(15)10-13/h7-8,12-15H,3-6,9-11H2,1-2H3/b8-7+/t13-,14+,15+/m1/s1 |
| InChIKey | WILFTFAKNQAQCA-GCKSTJDKSA-N |
| SMILES | CC(C)CCCOC(\C=C\C(O[C@]1(C[C@@]2(CC[C@]1(C2)[H])[H])[H])=O)=O |