| SpectraBase Compound ID | LPATtGw8MXS |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-4-5-6-7-8-9-10-11-14-21-17(19)12-13-18(20)22-15-16(2)3/h8-9,16H,4-7,10-15H2,1-3H3/b9-8+ |
| InChIKey | NVFHLHBHABLBKQ-CMDGGOBGSA-N |
| Mol Weight | 312.5 g/mol |
| Molecular Formula | C18H32O4 |
| Exact Mass | 312.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IZuKjzqz7Vm |
|---|---|
| Name | Succinic acid, dec-4-enyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.230059506 u |
| Formula | C18H32O4 |
| InChI | InChI=1S/C18H32O4/c1-4-5-6-7-8-9-10-11-14-21-17(19)12-13-18(20)22-15-16(2)3/h8-9,16H,4-7,10-15H2,1-3H3/b9-8+ |
| InChIKey | NVFHLHBHABLBKQ-CMDGGOBGSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | CCCCC\C=C\CCCOC(CCC(OCC(C)C)=O)=O |