| SpectraBase Compound ID | 6CPjAylkIQB |
|---|---|
| InChI | InChI=1S/C17H22O4/c1-12(2)20-16(18)11-15(17(19)21-13(3)4)10-14-8-6-5-7-9-14/h5-10,12-13H,11H2,1-4H3/b15-10+ |
| InChIKey | FPSZOSZBAFTATP-XNTDXEJSSA-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 | 5R9gxJlzk3m |
|---|---|
| Name | (E)-Diisopropyl 2-benzylidenesuccinate |
| 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/c1-12(2)20-16(18)11-15(17(19)21-13(3)4)10-14-8-6-5-7-9-14/h5-10,12-13H,11H2,1-4H3/b15-10+ |
| InChIKey | FPSZOSZBAFTATP-XNTDXEJSSA-N |
| SMILES | C(\C(=C\C1=CC=CC=C1)CC(OC(C)C)=O)(=O)OC(C)C |