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(2S,3R)-3-(5-Bromo-1H-indol-3-yl)-2-hydroxy-3-phenyl-propionic acid ethyl ester
SpectraBase Compound ID IKfXgAYANQX
InChI InChI=1S/C19H18BrNO3/c1-2-24-19(23)18(22)17(12-6-4-3-5-7-12)15-11-21-16-9-8-13(20)10-14(15)16/h3-11,17-18,21-22H,2H2,1H3/t17-,18+/m1/s1
InChIKey HFIAEFSGKLRRSA-MSOLQXFVSA-N
Mol Weight 388.26 g/mol
Molecular Formula C19H18BrNO3
Exact Mass 387.047006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3T5Ao5iSQWG
Name (2S,3R)-3-(5-Bromo-1H-indol-3-yl)-2-hydroxy-3-phenyl-propionic acid ethyl ester
Alternate Name(s) Ethyl 3-(5'-Bromo-1H-indol-3'-yl)-2-hydroxy-3-phenylpropanoate
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Formula C19H18BrNO3
InChI InChI=1S/C19H18BrNO3/c1-2-24-19(23)18(22)17(12-6-4-3-5-7-12)15-11-21-16-9-8-13(20)10-14(15)16/h3-11,17-18,21-22H,2H2,1H3/t17-,18+/m1/s1
InChIKey HFIAEFSGKLRRSA-MSOLQXFVSA-N
Molecular Weight 388.261 g/mol
SMILES [nH]1c2c(c([C@]([C@@](C(=O)OCC)(O)[H])(c3ccccc3)[H])c1)cc(cc2)Br
SPLASH splash10-0imj-1930000000-9e0ee016baa288209917
Source of Spectrum QE-14-1646-18
Wiley ID 1691981