| SpectraBase Compound ID | H99gshdpxaB |
|---|---|
| InChI | InChI=1S/C18H30O6/c1-13(19)15(3)23-17(21)11-9-7-5-6-8-10-12-18(22)24-16(4)14(2)20/h15-16H,5-12H2,1-4H3 |
| InChIKey | STLBYVLCPWJHCB-UHFFFAOYSA-N |
| Mol Weight | 342.43 g/mol |
| Molecular Formula | C18H30O6 |
| Exact Mass | 342.204239 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1o7pimtpYf |
|---|---|
| Name | Sebacic acid, di(3-oxobut-2-yl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.204238680 u |
| Formula | C18H30O6 |
| InChI | InChI=1S/C18H30O6/c1-13(19)15(3)23-17(21)11-9-7-5-6-8-10-12-18(22)24-16(4)14(2)20/h15-16H,5-12H2,1-4H3 |
| InChIKey | STLBYVLCPWJHCB-UHFFFAOYSA-N |
| Molecular Weight | 342.432 g/mol |
| SMILES | C(OC(CCCCCCCCC(OC(C(C)=O)C)=O)=O)(C(C)=O)C |