| SpectraBase Compound ID | 3hjqPr9L48f |
|---|---|
| InChI | InChI=1S/C16H26O4/c1-3-5-8-12-20-16(18)14-10-7-6-9-13(14)15(17)19-11-4-2/h4,13-14H,2-3,5-12H2,1H3 |
| InChIKey | PTICFFHNHCPTAL-UHFFFAOYSA-N |
| Mol Weight | 282.38 g/mol |
| Molecular Formula | C16H26O4 |
| Exact Mass | 282.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5jHSHn3pMLN |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, allyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.183109313 u |
| Formula | C16H26O4 |
| InChI | InChI=1S/C16H26O4/c1-3-5-8-12-20-16(18)14-10-7-6-9-13(14)15(17)19-11-4-2/h4,13-14H,2-3,5-12H2,1H3 |
| InChIKey | PTICFFHNHCPTAL-UHFFFAOYSA-N |
| SMILES | C1(CCCCC1C(OCCCCC)=O)C(=O)OCC=C |