| SpectraBase Compound ID | ELDqkQOZEO1 |
|---|---|
| InChI | InChI=1S/C18H32O5/c1-14(2)13-22-17(20)11-9-7-5-6-8-10-12-18(21)23-16(4)15(3)19/h14,16H,5-13H2,1-4H3 |
| InChIKey | SMQVSQKGXHMWOI-UHFFFAOYSA-N |
| Mol Weight | 328.4 g/mol |
| Molecular Formula | C18H32O5 |
| Exact Mass | 328.224974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DpWlu19Sxgj |
|---|---|
| Name | Sebacic acid, isobutyl 3-oxobut-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.224974125 u |
| Formula | C18H32O5 |
| InChI | InChI=1S/C18H32O5/c1-14(2)13-22-17(20)11-9-7-5-6-8-10-12-18(21)23-16(4)15(3)19/h14,16H,5-13H2,1-4H3 |
| InChIKey | SMQVSQKGXHMWOI-UHFFFAOYSA-N |
| Molecular Weight | 328.449 g/mol |
| SMILES | C(OC(CCCCCCCCC(OCC(C)C)=O)=O)(C(C)=O)C |