| SpectraBase Compound ID | 1GdLhRJtsw9 |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-5-6-13-21-16(19)11-12-17(20)22-15-9-7-14(8-10-15)18(2,3)4/h14-15H,5-13H2,1-4H3 |
| InChIKey | BNJQQUGPNDTCPH-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 | GDIKJq952x0 |
|---|---|
| Name | Succinic acid, butyl trans-4-tert-butylcyclohexyl 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/c1-5-6-13-21-16(19)11-12-17(20)22-15-9-7-14(8-10-15)18(2,3)4/h14-15H,5-13H2,1-4H3 |
| InChIKey | BNJQQUGPNDTCPH-UHFFFAOYSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | CCCCOC(CCC(OC1CCC(CC1)C(C)(C)C)=O)=O |