| SpectraBase Compound ID | DDd1Y1h8vjR |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-3-4-7-12-19-15(17)10-11-16(18)20-14-9-6-5-8-13(14)2/h13-14H,3-12H2,1-2H3 |
| InChIKey | MLZBIDVCUHWUDZ-UHFFFAOYSA-N |
| Mol Weight | 284.4 g/mol |
| Molecular Formula | C16H28O4 |
| Exact Mass | 284.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BWQSymIcfZz |
|---|---|
| Name | Succinic acid, 2-methylcyclohexyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.198759378 u |
| Formula | C16H28O4 |
| InChI | InChI=1S/C16H28O4/c1-3-4-7-12-19-15(17)10-11-16(18)20-14-9-6-5-8-13(14)2/h13-14H,3-12H2,1-2H3 |
| InChIKey | MLZBIDVCUHWUDZ-UHFFFAOYSA-N |
| SMILES | C(CCC(OC1C(CCCC1)C)=O)(OCCCCC)=O |