| SpectraBase Compound ID | I5UsTJhmqkb |
|---|---|
| InChI | InChI=1S/C15H26O4/c1-12(2)7-6-10-18-13(16)8-9-14(17)19-11-15(3,4)5/h8-9,12H,6-7,10-11H2,1-5H3/b9-8+ |
| InChIKey | UNMNBODXVIHBDS-CMDGGOBGSA-N |
| Mol Weight | 270.37 g/mol |
| Molecular Formula | C15H26O4 |
| Exact Mass | 270.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ZFKdsyD2PR |
|---|---|
| Name | Fumaric acid, isohexyl neopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.183109313 u |
| Formula | C15H26O4 |
| InChI | InChI=1S/C15H26O4/c1-12(2)7-6-10-18-13(16)8-9-14(17)19-11-15(3,4)5/h8-9,12H,6-7,10-11H2,1-5H3/b9-8+ |
| InChIKey | UNMNBODXVIHBDS-CMDGGOBGSA-N |
| Molecular Weight | 270.369 g/mol |
| SMILES | C(\C=C\C(OCC(C)(C)C)=O)(OCCCC(C)C)=O |