| SpectraBase Compound ID | K3vBaxgEJpW |
|---|---|
| InChI | InChI=1S/C17H30O4/c1-14(2)11-12-20-16(18)9-6-10-17(19)21-13-15-7-4-3-5-8-15/h14-15H,3-13H2,1-2H3 |
| InChIKey | VVDIZUUQOWIXSW-UHFFFAOYSA-N |
| Mol Weight | 298.42 g/mol |
| Molecular Formula | C17H30O4 |
| Exact Mass | 298.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DGQsfvlkwIv |
|---|---|
| Name | Glutaric acid, cyclohexylmethyl 3-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.214409442 u |
| Formula | C17H30O4 |
| InChI | InChI=1S/C17H30O4/c1-14(2)11-12-20-16(18)9-6-10-17(19)21-13-15-7-4-3-5-8-15/h14-15H,3-13H2,1-2H3 |
| InChIKey | VVDIZUUQOWIXSW-UHFFFAOYSA-N |
| SMILES | C(CCC(OCC1CCCCC1)=O)C(OCCC(C)C)=O |