| SpectraBase Compound ID | A4YoiOUzWDC |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-13(2)12-21-16(19)10-11-17(20)22-15-8-6-14(7-9-15)18(3,4)5/h13-15H,6-12H2,1-5H3 |
| InChIKey | PLBPCRYZRSHQIH-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 | 5pEM8BEkTxC |
|---|---|
| Name | Succinic acid, isobutyl 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/c1-13(2)12-21-16(19)10-11-17(20)22-15-8-6-14(7-9-15)18(3,4)5/h13-15H,6-12H2,1-5H3 |
| InChIKey | PLBPCRYZRSHQIH-UHFFFAOYSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | CC(C)COC(CCC(OC1CCC(CC1)C(C)(C)C)=O)=O |