| SpectraBase Compound ID | 2icOKicFN5Y |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-5-6-7-11-19-15(17)9-8-10-16(18)20-14(4)12-13(2)3/h13-14H,5-12H2,1-4H3 |
| InChIKey | VQBJBYSSXANABY-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 | Ah23a0usigK |
|---|---|
| Name | Glutaric acid, 4-methylpent-2-yl pentyl 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/c1-5-6-7-11-19-15(17)9-8-10-16(18)20-14(4)12-13(2)3/h13-14H,5-12H2,1-4H3 |
| InChIKey | VQBJBYSSXANABY-UHFFFAOYSA-N |
| SMILES | CC(CC(OC(CCCC(OCCCCC)=O)=O)C)C |