| SpectraBase Compound ID | 7OUcr2GDfAU |
|---|---|
| InChI | InChI=1S/C19H29BrO2/c1-16-15-17(12-13-19(16)22-2)18(21)11-9-7-5-3-4-6-8-10-14-20/h12-13,15H,3-11,14H2,1-2H3 |
| InChIKey | TXRNCDUTYNQFQM-UHFFFAOYSA-N |
| Mol Weight | 369.34 g/mol |
| Molecular Formula | C19H29BrO2 |
| Exact Mass | 368.135093 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8xUpJpLukQK |
|---|---|
| Name | 11-Bromo-1-(4-methoxy-3-methylphenyl)-undecan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.135093172 u |
| Formula | C19H29BrO2 |
| InChI | InChI=1S/C19H29BrO2/c1-16-15-17(12-13-19(16)22-2)18(21)11-9-7-5-3-4-6-8-10-14-20/h12-13,15H,3-11,14H2,1-2H3 |
| InChIKey | TXRNCDUTYNQFQM-UHFFFAOYSA-N |
| Molecular Weight | 369.343 g/mol |
| SMILES | C(CCC(C1=CC=C(C(C)=C1)OC)=O)CCCCCCCBr |