| SpectraBase Compound ID | BUMSb9YMU36 |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-3-9-16(4-2)22-18(20)13-8-12-17(19)21-14-15-10-6-5-7-11-15/h15-16H,3-14H2,1-2H3 |
| InChIKey | CKSZRTMIFMNOPJ-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 | 3d3VA4NRqra |
|---|---|
| Name | Glutaric acid, cyclohexylmethyl 3-hexyl 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/c1-3-9-16(4-2)22-18(20)13-8-12-17(19)21-14-15-10-6-5-7-11-15/h15-16H,3-14H2,1-2H3 |
| InChIKey | CKSZRTMIFMNOPJ-UHFFFAOYSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | C(CCC(OCC1CCCCC1)=O)C(OC(CCC)CC)=O |