| SpectraBase Compound ID | 1OiBoABEPy4 |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3,5H,4,6-16H2,1-2H3/b5-3+ |
| InChIKey | WIYFZCOQXRPAMT-HWKANZROSA-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 | IgISR6iAttI |
|---|---|
| Name | Sebacic acid, but-2-enyl butyl 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/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3,5H,4,6-16H2,1-2H3/b5-3+ |
| InChIKey | WIYFZCOQXRPAMT-HWKANZROSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | C(CCCCCCCCC(OC\C=C\C)=O)(OCCCC)=O |