| SpectraBase Compound ID | 4JbMIE1lwSY |
|---|---|
| InChI | InChI=1S/C19H32O4/c1-3-5-7-11-15-23-19(21)17-13-9-8-12-16(17)18(20)22-14-10-6-4-2/h8-9,16-17H,3-7,10-15H2,1-2H3 |
| InChIKey | KLVYOCASGORHKQ-UHFFFAOYSA-N |
| Mol Weight | 324.5 g/mol |
| Molecular Formula | C19H32O4 |
| Exact Mass | 324.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7OtPIFYsVG9 |
|---|---|
| Name | cis-Cyclohex-4-en-1,2-dicarboxylic acid, hexyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.230059506 u |
| Formula | C19H32O4 |
| InChI | InChI=1S/C19H32O4/c1-3-5-7-11-15-23-19(21)17-13-9-8-12-16(17)18(20)22-14-10-6-4-2/h8-9,16-17H,3-7,10-15H2,1-2H3 |
| InChIKey | KLVYOCASGORHKQ-UHFFFAOYSA-N |
| Molecular Weight | 324.461 g/mol |
| SMILES | C=1CC(C(CC1)C(OCCCCCC)=O)C(=O)OCCCCC |