| SpectraBase Compound ID | 4m5gaUEge0C |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-4-14-21-17(19)11-9-7-5-6-8-10-12-18(20)22-15-13-16(2)3/h13H,4-12,14-15H2,1-3H3 |
| InChIKey | XDRCCTVUZJZOLT-UHFFFAOYSA-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 | F7ltPc6Z1R2 |
|---|---|
| Name | Sebacic acid, 3-methylbut-2-enyl propyl 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/c1-4-14-21-17(19)11-9-7-5-6-8-10-12-18(20)22-15-13-16(2)3/h13H,4-12,14-15H2,1-3H3 |
| InChIKey | XDRCCTVUZJZOLT-UHFFFAOYSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | C(CCCCC(OCC=C(C)C)=O)CCCC(OCCC)=O |