SpectraBase Spectrum ID |
5eexILZry8i |
Name |
3'-Bromo-5'-chloro-2'-hydroxy-4'-methylpropiophenone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
275.955270260 u |
Formula |
C10H10BrClO2 |
InChI |
InChI=1S/C10H10BrClO2/c1-3-8(13)6-4-7(12)5(2)9(11)10(6)14/h4,14H,3H2,1-2H3 |
InChIKey |
IJMUUXUWODIEEM-UHFFFAOYSA-N |
Molecular Weight |
277.545 g/mol |
SMILES |
OC1=C(C=C(C(=C1Br)C)Cl)C(CC)=O |
Spectrum/Structure Validation Score (Raman) |
0.916885 |