| SpectraBase Compound ID | D1rtnAxP0b1 |
|---|---|
| InChI | InChI=1S/C17H30O4/c1-4-5-6-11-20-16(18)9-10-17(19)21-15-8-7-13(2)14(3)12-15/h13-15H,4-12H2,1-3H3 |
| InChIKey | NGXAYRFFCIGZPP-UHFFFAOYSA-N |
| Mol Weight | 298.42 g/mol |
| Molecular Formula | C17H30O4 |
| Exact Mass | 298.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1qtK9HG6gMT |
|---|---|
| Name | Succinic acid, 3,4-dimethylcyclohexyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.214409442 u |
| Formula | C17H30O4 |
| InChI | InChI=1S/C17H30O4/c1-4-5-6-11-20-16(18)9-10-17(19)21-15-8-7-13(2)14(3)12-15/h13-15H,4-12H2,1-3H3 |
| InChIKey | NGXAYRFFCIGZPP-UHFFFAOYSA-N |
| SMILES | C1(CCC(C(C1)C)C)OC(CCC(OCCCCC)=O)=O |