| SpectraBase Compound ID | Dv7Qp9kTrTH |
|---|---|
| InChI | InChI=1S/C17H22O5/c1-3-4-5-12-21-16(18)10-11-17(19)22-13-14-6-8-15(20-2)9-7-14/h6-11H,3-5,12-13H2,1-2H3/b11-10+ |
| InChIKey | KEZJGQLJYCKNID-ZHACJKMWSA-N |
| Mol Weight | 306.36 g/mol |
| Molecular Formula | C17H22O5 |
| Exact Mass | 306.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BIBP3041FRE |
|---|---|
| Name | Fumaric acid, 4-methoxybenzyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.146723803 u |
| Formula | C17H22O5 |
| InChI | InChI=1S/C17H22O5/c1-3-4-5-12-21-16(18)10-11-17(19)22-13-14-6-8-15(20-2)9-7-14/h6-11H,3-5,12-13H2,1-2H3/b11-10+ |
| InChIKey | KEZJGQLJYCKNID-ZHACJKMWSA-N |
| Molecular Weight | 306.358 g/mol |
| SMILES | C(\C=C\C(OCC1=CC=C(OC)C=C1)=O)(OCCCCC)=O |