| SpectraBase Compound ID | G8Ch90qgm8i |
|---|---|
| InChI | InChI=1S/C18H24O4/c1-4-5-8-13-21-17(19)11-12-18(20)22-16-10-7-6-9-15(16)14(2)3/h6-7,9-12,14H,4-5,8,13H2,1-3H3/b12-11+ |
| InChIKey | DTFCFDZUDFFJFH-VAWYXSNFSA-N |
| Mol Weight | 304.39 g/mol |
| Molecular Formula | C18H24O4 |
| Exact Mass | 304.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5PiD9Zepq7J |
|---|---|
| Name | Fumaric acid, 2-isopropylphenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.167459249 u |
| Formula | C18H24O4 |
| InChI | InChI=1S/C18H24O4/c1-4-5-8-13-21-17(19)11-12-18(20)22-16-10-7-6-9-15(16)14(2)3/h6-7,9-12,14H,4-5,8,13H2,1-3H3/b12-11+ |
| InChIKey | DTFCFDZUDFFJFH-VAWYXSNFSA-N |
| SMILES | C(\C=C\C(OC1=C(C=CC=C1)C(C)C)=O)(OCCCCC)=O |