| SpectraBase Compound ID | B9WlOtAAVjh |
|---|---|
| InChI | InChI=1S/C17H30O4/c1-4-15(13(2)3)21-17(19)11-10-16(18)20-12-14-8-6-5-7-9-14/h13-15H,4-12H2,1-3H3 |
| InChIKey | AQEKVVAJKYGSPB-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 | B3ZJ1ubOVGD |
|---|---|
| Name | Succinic acid, cyclohexylmethyl 2-methylpent-3-yl 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/c1-4-15(13(2)3)21-17(19)11-10-16(18)20-12-14-8-6-5-7-9-14/h13-15H,4-12H2,1-3H3 |
| InChIKey | AQEKVVAJKYGSPB-UHFFFAOYSA-N |
| SMILES | C(CC(OCC1CCCCC1)=O)C(OC(C(C)C)CC)=O |