| SpectraBase Compound ID | InE8L0Rwbqg |
|---|---|
| InChI | InChI=1S/C19H26O4/c1-6-16(14(4)5)22-18(20)11-12-19(21)23-17-10-8-7-9-15(17)13(2)3/h7-14,16H,6H2,1-5H3/b12-11+ |
| InChIKey | QKMKMZYRKCFOAQ-VAWYXSNFSA-N |
| Mol Weight | 318.41 g/mol |
| Molecular Formula | C19H26O4 |
| Exact Mass | 318.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 33qj07faksP |
|---|---|
| Name | Fumaric acid, 2-isopropylphenyl 2-methylpent-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.183109313 u |
| Formula | C19H26O4 |
| InChI | InChI=1S/C19H26O4/c1-6-16(14(4)5)22-18(20)11-12-19(21)23-17-10-8-7-9-15(17)13(2)3/h7-14,16H,6H2,1-5H3/b12-11+ |
| InChIKey | QKMKMZYRKCFOAQ-VAWYXSNFSA-N |
| Molecular Weight | 318.413 g/mol |
| SMILES | C(\C=C\C(OC(CC)C(C)C)=O)(OC1=C(C=CC=C1)C(C)C)=O |