| SpectraBase Compound ID | CoG9FINnN0N |
|---|---|
| InChI | InChI=1S/C21H36O3/c1-3-4-5-7-11-14-19-18(16-17-20(19)22)13-10-8-6-9-12-15-21(23)24-2/h3-17H2,1-2H3 |
| InChIKey | YSOCBRZQQDHXMX-UHFFFAOYSA-N |
| Mol Weight | 336.5 g/mol |
| Molecular Formula | C21H36O3 |
| Exact Mass | 336.266445 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7xJhHtpsl9s |
|---|---|
| Name | 2-Heptyl-3-(7-carbomethoxyheptyl)-cyclopent-2-enone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.266445016 u |
| Formula | C21H36O3 |
| InChI | InChI=1S/C21H36O3/c1-3-4-5-7-11-14-19-18(16-17-20(19)22)13-10-8-6-9-12-15-21(23)24-2/h3-17H2,1-2H3 |
| InChIKey | YSOCBRZQQDHXMX-UHFFFAOYSA-N |
| Molecular Weight | 336.516 g/mol |
| SMILES | C1(=C(CCC1=O)CCCCCCCC(=O)OC)CCCCCCC |