| SpectraBase Compound ID | AKG4ck70LsK |
|---|---|
| InChI | InChI=1S/C15H24O4/c1-4-9-18-14(16)12-7-5-6-8-13(12)15(17)19-10-11(2)3/h4,11-13H,1,5-10H2,2-3H3 |
| InChIKey | VEXMRTBLPHFSDY-UHFFFAOYSA-N |
| Mol Weight | 268.35 g/mol |
| Molecular Formula | C15H24O4 |
| Exact Mass | 268.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K4ee9uEuNeK |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, allyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.167459249 u |
| Formula | C15H24O4 |
| InChI | InChI=1S/C15H24O4/c1-4-9-18-14(16)12-7-5-6-8-13(12)15(17)19-10-11(2)3/h4,11-13H,1,5-10H2,2-3H3 |
| InChIKey | VEXMRTBLPHFSDY-UHFFFAOYSA-N |
| Molecular Weight | 268.353 g/mol |
| SMILES | C1(CCCCC1C(=O)OCC=C)C(OCC(C)C)=O |