| SpectraBase Compound ID | 4dm8IFtKkrs |
|---|---|
| InChI | InChI=1S/C19H26O5/c1-6-15(13(2)3)23-18(20)11-12-19(21)24-17-10-8-7-9-16(17)22-14(4)5/h7-15H,6H2,1-5H3/b12-11+ |
| InChIKey | GMXKSHKITBRVFS-VAWYXSNFSA-N |
| Mol Weight | 334.41 g/mol |
| Molecular Formula | C19H26O5 |
| Exact Mass | 334.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HBeUfqO23q0 |
|---|---|
| Name | Fumaric acid, 2-isopropoxyphenyl 2-methylpent-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.178023932 u |
| Formula | C19H26O5 |
| InChI | InChI=1S/C19H26O5/c1-6-15(13(2)3)23-18(20)11-12-19(21)24-17-10-8-7-9-16(17)22-14(4)5/h7-15H,6H2,1-5H3/b12-11+ |
| InChIKey | GMXKSHKITBRVFS-VAWYXSNFSA-N |
| Molecular Weight | 334.412 g/mol |
| SMILES | C(\C=C\C(OC(CC)C(C)C)=O)(OC1=C(C=CC=C1)OC(C)C)=O |