| SpectraBase Compound ID | LXsDrRgPjpk |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-5-7-8-9-14(4)20-16(18)11-10-15(17)19-12-13(3)6-2/h13-14H,5-12H2,1-4H3 |
| InChIKey | VZVBQDORTOSGQA-UHFFFAOYSA-N |
| Mol Weight | 286.41 g/mol |
| Molecular Formula | C16H30O4 |
| Exact Mass | 286.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CTW9HjeDnGa |
|---|---|
| Name | Succinic acid, hept-2-yl 2-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.214409442 u |
| Formula | C16H30O4 |
| InChI | InChI=1S/C16H30O4/c1-5-7-8-9-14(4)20-16(18)11-10-15(17)19-12-13(3)6-2/h13-14H,5-12H2,1-4H3 |
| InChIKey | VZVBQDORTOSGQA-UHFFFAOYSA-N |
| SMILES | C(CC(OC(C)CCCCC)=O)C(OCC(CC)C)=O |