SpectraBase Compound ID | CVFapwDPoyj |
---|---|
InChI | InChI=1S/C8H9BrO2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,10-11H,5H2/t8-/m1/s1 |
InChIKey | ZDPJGAWPRHNQHI-MRVPVSSYSA-N |
Mol Weight | 217.06 g/mol |
Molecular Formula | C8H9BrO2 |
Exact Mass | 215.978593 g/mol |
SpectraBase Spectrum ID | DU7IVPFe7ET |
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Name | [S]-(p-Bromophenyl)-1,2-ethanediol |
Comments | Less than 3 mono-isotopic peaks |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C8H9BrO2 |
InChI | InChI=1S/C8H9BrO2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,10-11H,5H2/t8-/m1/s1 |
InChIKey | ZDPJGAWPRHNQHI-MRVPVSSYSA-N |
Molecular Weight | 217.062 g/mol |
SMILES | O[C@](CO)(c1ccc(cc1)Br)[H] |
SPLASH | splash10-014i-0090000000-f254098d4f180474b3b3 |
Source of Spectrum | CRT-11-45-S-A |
Wiley ID | 1709804 |