| SpectraBase Compound ID | LOauAmXW012 |
|---|---|
| InChI | InChI=1S/C6H6BrNOS/c1-4(2-9)5-3-10-8-6(5)7/h2-4H,1H3 |
| InChIKey | GDDDMGALHXQVFA-UHFFFAOYSA-N |
| Mol Weight | 220.08 g/mol |
| Molecular Formula | C6H6BrNOS |
| Exact Mass | 218.935348 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BxWuhRqHbjW |
|---|---|
| Name | 2-(3-bromoisothiazol-4-yl)propionaldehyde |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C6H6BrNOS |
| InChI | InChI=1S/C6H6BrNOS/c1-4(2-9)5-3-10-8-6(5)7/h2-4H,1H3 |
| InChIKey | GDDDMGALHXQVFA-UHFFFAOYSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2006) |
| Molecular Weight | 220.084 g/mol |
| Source File Reference | MHKO9181 |