| SpectraBase Compound ID | BWPV8TEH4fs |
|---|---|
| InChI | InChI=1S/C17H30O4/c1-5-7-10-15(6-2)21-17(19)12-11-16(18)20-13-8-9-14(3)4/h11-12,14-15H,5-10,13H2,1-4H3/b12-11+ |
| InChIKey | KTAIWIVXNMHJFR-VAWYXSNFSA-N |
| Mol Weight | 298.42 g/mol |
| Molecular Formula | C17H30O4 |
| Exact Mass | 298.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 85374SjNBVs |
|---|---|
| Name | Fumaric acid, 3-heptyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.214409442 u |
| Formula | C17H30O4 |
| InChI | InChI=1S/C17H30O4/c1-5-7-10-15(6-2)21-17(19)12-11-16(18)20-13-8-9-14(3)4/h11-12,14-15H,5-10,13H2,1-4H3/b12-11+ |
| InChIKey | KTAIWIVXNMHJFR-VAWYXSNFSA-N |
| SMILES | C(OC(CC)CCCC)(\C=C\C(OCCCC(C)C)=O)=O |