| SpectraBase Compound ID | 79vIaYUga2r |
|---|---|
| InChI | InChI=1S/C8H7BrO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3 |
| InChIKey | KLSHZDPXXKAHIJ-UHFFFAOYSA-N |
| Mol Weight | 231.04 g/mol |
| Molecular Formula | C8H7BrO3 |
| Exact Mass | 229.957857 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DVhMU59kH60 |
|---|---|
| Name | 5-BROMOVANILLIN |
| Source of Sample | Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H7BrO3 |
| InChI | InChI=1S/C8H7BrO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3 |
| InChIKey | KLSHZDPXXKAHIJ-UHFFFAOYSA-N |
| Melting Point | 164-166C |
| Molecular Weight | 231.05 |
| Solvent | Polysol; Reference=TMS Spectrometer= Varian CFT-20 |
| Synonyms | VANILLIN, 5-BROMO-, |