SpectraBase Compound ID | 21d3TxsvTn1 |
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InChI | InChI=1S/C10H9BrO3/c1-7(12)6-14-10(13)8-4-2-3-5-9(8)11/h2-5H,6H2,1H3 |
InChIKey | QUJCJNOFWGZQIU-UHFFFAOYSA-N |
Mol Weight | 257.08 g/mol |
Molecular Formula | C10H9BrO3 |
Exact Mass | 255.973507 g/mol |
SpectraBase Spectrum ID | vmtsBEVsR3 |
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Name | 2-Bromo-benzoic acid 2-oxo-propyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 255.973507147 u |
Formula | C10H9BrO3 |
InChI | InChI=1S/C10H9BrO3/c1-7(12)6-14-10(13)8-4-2-3-5-9(8)11/h2-5H,6H2,1H3 |
InChIKey | QUJCJNOFWGZQIU-UHFFFAOYSA-N |
Molecular Weight | 257.083 g/mol |
SMILES | C(C=1C(=CC=CC1)Br)(=O)OCC(C)=O |