| SpectraBase Compound ID | H0oBMUv0u6L |
|---|---|
| InChI | InChI=1S/C17H22O4/c1-3-5-13-20-16(18)11-12-17(19)21-15-10-7-6-9-14(15)8-4-2/h6-7,9-12H,3-5,8,13H2,1-2H3/b12-11+ |
| InChIKey | CLXPPLNGQHQZBY-VAWYXSNFSA-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 | EAKOtCZPVb0 |
|---|---|
| Name | Fumaric acid, butyl 2-propylphenyl 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/c1-3-5-13-20-16(18)11-12-17(19)21-15-10-7-6-9-14(15)8-4-2/h6-7,9-12H,3-5,8,13H2,1-2H3/b12-11+ |
| InChIKey | CLXPPLNGQHQZBY-VAWYXSNFSA-N |
| SMILES | CCCC1=C(OC(\C=C\C(OCCCC)=O)=O)C=CC=C1 |