| SpectraBase Compound ID | 1fvDj7ln3jI |
|---|---|
| InChI | InChI=1S/C20H32O2/c1-3-4-5-6-7-8-9-10-14-17-22-20(21)18(2)19-15-12-11-13-16-19/h11-13,15-16,18H,3-10,14,17H2,1-2H3 |
| InChIKey | GKFILJMPFQBUIF-UHFFFAOYSA-N |
| Mol Weight | 304.5 g/mol |
| Molecular Formula | C20H32O2 |
| Exact Mass | 304.24023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BYMaJdWn4fj |
|---|---|
| Name | Hydratropic acid, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.240230268 u |
| Formula | C20H32O2 |
| InChI | InChI=1S/C20H32O2/c1-3-4-5-6-7-8-9-10-14-17-22-20(21)18(2)19-15-12-11-13-16-19/h11-13,15-16,18H,3-10,14,17H2,1-2H3 |
| InChIKey | GKFILJMPFQBUIF-UHFFFAOYSA-N |
| Molecular Weight | 304.474 g/mol |
| SMILES | C1=CC=CC(=C1)C(C(=O)OCCCCCCCCCCC)C |