| SpectraBase Compound ID | IBzWyCqqbAb |
|---|---|
| InChI | InChI=1S/C20H30O2/c1-3-4-5-6-7-8-9-10-14-17-22-20(21)18(2)19-15-12-11-13-16-19/h10-16,18H,3-9,17H2,1-2H3/b14-10+ |
| InChIKey | MGGBVIFSTADQDO-GXDHUFHOSA-N |
| Mol Weight | 302.46 g/mol |
| Molecular Formula | C20H30O2 |
| Exact Mass | 302.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LQ3B1senB8R |
|---|---|
| Name | Hydratropic acid, undec-2-en-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.224580204 u |
| Formula | C20H30O2 |
| InChI | InChI=1S/C20H30O2/c1-3-4-5-6-7-8-9-10-14-17-22-20(21)18(2)19-15-12-11-13-16-19/h10-16,18H,3-9,17H2,1-2H3/b14-10+ |
| InChIKey | MGGBVIFSTADQDO-GXDHUFHOSA-N |
| SMILES | C1=C(C=CC=C1)C(C(=O)OC\C=C\CCCCCCCC)C |