| SpectraBase Compound ID | 5K3Fl4K1sog |
|---|---|
| InChI | InChI=1S/C19H23BrO/c1-14-12-15(2)17(16(3)13-14)8-6-7-11-21-19-10-5-4-9-18(19)20/h4-5,9-10,12-13H,6-8,11H2,1-3H3 |
| InChIKey | GDYWXAQCDQNBBV-UHFFFAOYSA-N |
| Mol Weight | 347.3 g/mol |
| Molecular Formula | C19H23BrO |
| Exact Mass | 346.093228 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | V2qpfpNT3Y |
|---|---|
| Name | 2-(4-(2-Bromophenoxy)butyl)-1,3,5-trimethylbenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.093228360 u |
| Formula | C19H23BrO |
| InChI | InChI=1S/C19H23BrO/c1-14-12-15(2)17(16(3)13-14)8-6-7-11-21-19-10-5-4-9-18(19)20/h4-5,9-10,12-13H,6-8,11H2,1-3H3 |
| InChIKey | GDYWXAQCDQNBBV-UHFFFAOYSA-N |
| Molecular Weight | 347.296 g/mol |
| SMILES | C=1(C)C(=C(C)C=C(C1)C)CCCCOC1=C(C=CC=C1)Br |