| SpectraBase Compound ID | 9LtoJCoz78j |
|---|---|
| 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/h3H,1,4-16H2,2H3 |
| InChIKey | CFQRQXCPTSJENS-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 | AiwlBSqG11o |
|---|---|
| Name | Sebacic acid, but-3-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/h3H,1,4-16H2,2H3 |
| InChIKey | CFQRQXCPTSJENS-UHFFFAOYSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | C(CCOC(CCCCCCCCC(OCCCC)=O)=O)=C |