| SpectraBase Compound ID | 3CgGI7clMet |
|---|---|
| InChI | InChI=1S/C15H24O4/c1-3-5-7-9-13-19-15(17)11-10-14(16)18-12-8-6-4-2/h5,7,10-11H,3-4,6,8-9,12-13H2,1-2H3/b7-5+,11-10+ |
| InChIKey | TXYAUZAXQBGEJS-WTQQXEBVSA-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 | CsVFvoMeTwC |
|---|---|
| Name | Fumaric acid, pentyl trans-hex-3-enyl 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/c1-3-5-7-9-13-19-15(17)11-10-14(16)18-12-8-6-4-2/h5,7,10-11H,3-4,6,8-9,12-13H2,1-2H3/b7-5+,11-10+ |
| InChIKey | TXYAUZAXQBGEJS-WTQQXEBVSA-N |
| Molecular Weight | 268.353 g/mol |
| SMILES | C(OCC\C=C\CC)(\C=C\C(OCCCCC)=O)=O |