| SpectraBase Compound ID | Ezq7gm7Wk5J |
|---|---|
| InChI | InChI=1S/C17H22O4/c1-2-3-7-13-20-16(18)10-11-17(19)21-14-12-15-8-5-4-6-9-15/h4-6,8-11H,2-3,7,12-14H2,1H3/b11-10+ |
| InChIKey | MYYNGLISKOYILW-ZHACJKMWSA-N |
| Mol Weight | 290.36 g/mol |
| Molecular Formula | C17H22O4 |
| Exact Mass | 290.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7wx2RCdCI3P |
|---|---|
| Name | Fumaric acid, pentyl 2-phenylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.151809184 u |
| Formula | C17H22O4 |
| InChI | InChI=1S/C17H22O4/c1-2-3-7-13-20-16(18)10-11-17(19)21-14-12-15-8-5-4-6-9-15/h4-6,8-11H,2-3,7,12-14H2,1H3/b11-10+ |
| InChIKey | MYYNGLISKOYILW-ZHACJKMWSA-N |
| SMILES | C(\C=C\C(OCCCCC)=O)(OCCC1=CC=CC=C1)=O |