| SpectraBase Compound ID | FR1Eed09Ij4 |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-23-19(21)12-10-8-6-4-3-5-7-9-11-17-13-15-18(16-14-17)20(22)24-2/h13-16H,3-12H2,1-2H3 |
| InChIKey | GQTYEMSJRRWEJH-UHFFFAOYSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 46Pujk1oUAg |
|---|---|
| Name | Methyl 4-(11-methoxy-11-oxoundecyl)benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.214409442 u |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-23-19(21)12-10-8-6-4-3-5-7-9-11-17-13-15-18(16-14-17)20(22)24-2/h13-16H,3-12H2,1-2H3 |
| InChIKey | GQTYEMSJRRWEJH-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C(C1=CC=C(C=C1)CCCCCCCCCCC(=O)OC)(=O)OC |