| SpectraBase Compound ID | BNn0xy6Ajfl |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-3-4-9-14-21-17(19)12-7-8-13-18(20)22-16-11-6-5-10-15(16)2/h15-16H,3-14H2,1-2H3 |
| InChIKey | WJDVYXSRZPXIIA-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 | BRUejS1k9bU |
|---|---|
| Name | Adipic acid, pentyl trans-2-methylcyclohexyl 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/c1-3-4-9-14-21-17(19)12-7-8-13-18(20)22-16-11-6-5-10-15(16)2/h15-16H,3-14H2,1-2H3 |
| InChIKey | WJDVYXSRZPXIIA-UHFFFAOYSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | C1(CCCCC1C)OC(=O)CCCCC(OCCCCC)=O |