| SpectraBase Compound ID | 95dRYzBrV1e |
|---|---|
| InChI | InChI=1S/C22H38O4/c1-6-8-12-20(7-2)17-26-22(24)14-13-21(23)25-16-15-19(5)11-9-10-18(3)4/h10,15,20H,6-9,11-14,16-17H2,1-5H3/b19-15- |
| InChIKey | JRYFMNHVDFYNJA-CYVLTUHYSA-N |
| Mol Weight | 366.5 g/mol |
| Molecular Formula | C22H38O4 |
| Exact Mass | 366.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6dSBDbQy59t |
|---|---|
| Name | Succinic acid, 2-ethylhexyl neryl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.277009700 u |
| Formula | C22H38O4 |
| InChI | InChI=1S/C22H38O4/c1-6-8-12-20(7-2)17-26-22(24)14-13-21(23)25-16-15-19(5)11-9-10-18(3)4/h10,15,20H,6-9,11-14,16-17H2,1-5H3/b19-15- |
| InChIKey | JRYFMNHVDFYNJA-CYVLTUHYSA-N |
| Molecular Weight | 366.542 g/mol |
| SMILES | C(CC(OCC(CC)CCCC)=O)C(OC\C=C/(CCC=C(C)C)C)=O |