| SpectraBase Compound ID | EZG0Rw5A7NS |
|---|---|
| InChI | InChI=1S/C21H22O5/c1-2-3-15-24-20(22)13-14-21(23)25-16-17-9-11-19(12-10-17)26-18-7-5-4-6-8-18/h4-14H,2-3,15-16H2,1H3/b14-13+ |
| InChIKey | LFSGXOWDOWBBFO-BUHFOSPRSA-N |
| Mol Weight | 354.4 g/mol |
| Molecular Formula | C21H22O5 |
| Exact Mass | 354.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 17OJy2gfMa6 |
|---|---|
| Name | Fumaric acid, butyl 4-phenoxybenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.146723803 u |
| Formula | C21H22O5 |
| InChI | InChI=1S/C21H22O5/c1-2-3-15-24-20(22)13-14-21(23)25-16-17-9-11-19(12-10-17)26-18-7-5-4-6-8-18/h4-14H,2-3,15-16H2,1H3/b14-13+ |
| InChIKey | LFSGXOWDOWBBFO-BUHFOSPRSA-N |
| Molecular Weight | 354.402 g/mol |
| SMILES | C(\C=C\C(OCCCC)=O)(OCC1=CC=C(OC2=CC=CC=C2)C=C1)=O |