| SpectraBase Compound ID | 6pZRrvobU8m |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-3-8-15(2)13-21-17(19)11-7-12-18(20)22-14-16-9-5-4-6-10-16/h15-16H,3-14H2,1-2H3 |
| InChIKey | FVRUEVOKUBTYNP-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 | H2J1c78MOcg |
|---|---|
| Name | Glutaric acid, cyclohexylmethyl 2-methylpentyl 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/c1-3-8-15(2)13-21-17(19)11-7-12-18(20)22-14-16-9-5-4-6-10-16/h15-16H,3-14H2,1-2H3 |
| InChIKey | FVRUEVOKUBTYNP-UHFFFAOYSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | C(CCC(OCC1CCCCC1)=O)C(OCC(CCC)C)=O |