| SpectraBase Compound ID | Cx9Gv0LOGEg |
|---|---|
| InChI | InChI=1S/C19H34O4/c1-7-8-9-10-16(3)23-18(21)12-11-17(20)22-14-15(2)13-19(4,5)6/h11-12,15-16H,7-10,13-14H2,1-6H3/b12-11+ |
| InChIKey | KKIANBFWNYWUBX-VAWYXSNFSA-N |
| Mol Weight | 326.5 g/mol |
| Molecular Formula | C19H34O4 |
| Exact Mass | 326.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 63s4N23OGBK |
|---|---|
| Name | Fumaric acid, 2,4,4-trimethylpentyl hept-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.245709571 u |
| Formula | C19H34O4 |
| InChI | InChI=1S/C19H34O4/c1-7-8-9-10-16(3)23-18(21)12-11-17(20)22-14-15(2)13-19(4,5)6/h11-12,15-16H,7-10,13-14H2,1-6H3/b12-11+ |
| InChIKey | KKIANBFWNYWUBX-VAWYXSNFSA-N |
| Molecular Weight | 326.477 g/mol |
| SMILES | C(\C=C\C(OC(C)CCCCC)=O)(OCC(CC(C)(C)C)C)=O |