| SpectraBase Compound ID | 63ZxWtSmnnk |
|---|---|
| InChI | InChI=1S/C14H22O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3,11-12H,1,4-10H2,2H3 |
| InChIKey | NRNACEABKBLQSA-UHFFFAOYSA-N |
| Mol Weight | 254.33 g/mol |
| Molecular Formula | C14H22O4 |
| Exact Mass | 254.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7lgJs7PNYz7 |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, allyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.151809184 u |
| Formula | C14H22O4 |
| InChI | InChI=1S/C14H22O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3,11-12H,1,4-10H2,2H3 |
| InChIKey | NRNACEABKBLQSA-UHFFFAOYSA-N |
| Molecular Weight | 254.326 g/mol |
| SMILES | C1(CCCCC1C(OCCC)=O)C(=O)OCC=C |