| SpectraBase Compound ID | E7x57gzwlhN |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-14(2)12-15(3)22-18(20)11-7-10-17(19)21-13-16-8-5-4-6-9-16/h14-16H,4-13H2,1-3H3 |
| InChIKey | SMHIYWZKFOSYTJ-UHFFFAOYSA-N |
| Mol Weight | 312.5 g/mol |
| Molecular Formula | C18H32O4 |
| Exact Mass | 312.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LtPySk4hnVF |
|---|---|
| Name | Glutaric acid, cyclohexylmethyl 4-methylpent-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.230059506 u |
| Formula | C18H32O4 |
| InChI | InChI=1S/C18H32O4/c1-14(2)12-15(3)22-18(20)11-7-10-17(19)21-13-16-8-5-4-6-9-16/h14-16H,4-13H2,1-3H3 |
| InChIKey | SMHIYWZKFOSYTJ-UHFFFAOYSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | C(CCC(OC(C)CC(C)C)=O)C(OCC1CCCCC1)=O |