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S-methyl 2-(4-bromo-phenoxy)-3-phenyl-propanoate
SpectraBase Compound ID BjNbpwBDfNf
InChI InChI=1S/C16H15BrO3/c1-19-16(18)15(11-12-5-3-2-4-6-12)20-14-9-7-13(17)8-10-14/h2-10,15H,11H2,1H3/t15-/m0/s1
InChIKey YZZAVXNHAMGAGS-HNNXBMFYSA-N
Mol Weight 335.2 g/mol
Molecular Formula C16H15BrO3
Exact Mass 334.020457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KgH3jp2oWUt
Name S-methyl 2-(4-bromo-phenoxy)-3-phenyl-propanoate
Appearance Colourless oil
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Formula C16H15BrO3
InChI InChI=1S/C16H15BrO3/c1-19-16(18)15(11-12-5-3-2-4-6-12)20-14-9-7-13(17)8-10-14/h2-10,15H,11H2,1H3/t15-/m0/s1
InChIKey YZZAVXNHAMGAGS-HNNXBMFYSA-N
Instrument Name HP 6890-5973
Ionization Type EI
Literature Reference DOI 10.1021/jm201306q
Molecular Weight 335.197 g/mol
SMILES c1cc(ccc1)C[C@@](C(OC)=O)(Oc1ccc(cc1)Br)[H]
SPLASH splash10-0239-0905000000-f1f940e26f0e12ef9130
Source of Spectrum AF-55-SM4-S-5d
Wiley ID 1852005