![Benzaldehyde, 3-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]-](/api/spectrum/EZvHyXjHRej/structure.png?h=300&w=458 "Benzaldehyde, 3-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]-")
| SpectraBase Compound ID | DV8vrZxU4zJ |
|---|---|
| InChI | InChI=1S/C16H15BrO3/c1-11-4-3-5-12(6-11)10-20-16-14(17)7-13(9-18)8-15(16)19-2/h3-9H,10H2,1-2H3 |
| InChIKey | MCRZEGYDSTZPBA-UHFFFAOYSA-N |
| Mol Weight | 335.2 g/mol |
| Molecular Formula | C16H15BrO3 |
| Exact Mass | 334.020457 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EZvHyXjHRej |
|---|---|
| Name | Benzaldehyde, 3-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.020457340 u |
| Formula | C16H15BrO3 |
| InChI | InChI=1S/C16H15BrO3/c1-11-4-3-5-12(6-11)10-20-16-14(17)7-13(9-18)8-15(16)19-2/h3-9H,10H2,1-2H3 |
| InChIKey | MCRZEGYDSTZPBA-UHFFFAOYSA-N |
| Molecular Weight | 335.197 g/mol |
| SMILES | C1=CC=C(C=C1COC1=C(C=C(C=O)C=C1Br)OC)C |