| SpectraBase Compound ID | 89fbexDv6YC |
|---|---|
| InChI | InChI=1S/C15H24O4/c1-4-6-7-8-12-18-14(16)10-11-15(17)19-13(3)9-5-2/h5,10-11,13H,2,4,6-9,12H2,1,3H3/b11-10+ |
| InChIKey | GFBDACUBDXBCIW-ZHACJKMWSA-N |
| Mol Weight | 268.35 g/mol |
| Molecular Formula | C15H24O4 |
| Exact Mass | 268.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3dgCFEpWumZ |
|---|---|
| Name | Fumaric acid, hexyl pent-4-en-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.167459249 u |
| Formula | C15H24O4 |
| InChI | InChI=1S/C15H24O4/c1-4-6-7-8-12-18-14(16)10-11-15(17)19-13(3)9-5-2/h5,10-11,13H,2,4,6-9,12H2,1,3H3/b11-10+ |
| InChIKey | GFBDACUBDXBCIW-ZHACJKMWSA-N |
| Molecular Weight | 268.353 g/mol |
| SMILES | C=CCC(OC(\C=C\C(OCCCCCC)=O)=O)C |