| SpectraBase Compound ID | 2S9QyGZOsXD |
|---|---|
| InChI | InChI=1S/C18H24O4/c1-2-3-4-8-14-21-17(19)11-12-18(20)22-15-13-16-9-6-5-7-10-16/h5-7,9-12H,2-4,8,13-15H2,1H3/b12-11+ |
| InChIKey | MXYGQYWFRCDWME-VAWYXSNFSA-N |
| Mol Weight | 304.39 g/mol |
| Molecular Formula | C18H24O4 |
| Exact Mass | 304.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lv3ALx9enTB |
|---|---|
| Name | Fumaric acid, hexyl 2-phenylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.167459249 u |
| Formula | C18H24O4 |
| InChI | InChI=1S/C18H24O4/c1-2-3-4-8-14-21-17(19)11-12-18(20)22-15-13-16-9-6-5-7-10-16/h5-7,9-12H,2-4,8,13-15H2,1H3/b12-11+ |
| InChIKey | MXYGQYWFRCDWME-VAWYXSNFSA-N |
| SMILES | CCCCCCOC(\C=C\C(OCCC1=CC=CC=C1)=O)=O |