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5-Bromo-3-(2-ethoxy-2-keto-ethyl)indole-1-carboxylic acid tert-butyl ester
SpectraBase Compound ID Iz2cCANSRpJ
InChI InChI=1S/C17H20BrNO4/c1-5-22-15(20)8-11-10-19(16(21)23-17(2,3)4)14-7-6-12(18)9-13(11)14/h6-7,9-10H,5,8H2,1-4H3
InChIKey KCSRYKYFAQZHFX-UHFFFAOYSA-N
Mol Weight 382.25 g/mol
Molecular Formula C17H20BrNO4
Exact Mass 381.057571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G61byvpgyAL
Name 5-Bromo-3-(2-ethoxy-2-keto-ethyl)indole-1-carboxylic acid tert-butyl ester
Alternate Name(s) 5-Bromo-3-(2-ethoxy-2-oxoethyl)-1-indolecarboxylic acid tert-butyl ester tert-Butyl 5-bromanyl-3-(2-ethoxy-2-oxidanylidene-ethyl)indole-1-carboxylate tert-Butyl 5-bromo-3-(2-ethoxy-2-oxo-ethyl)indole-1-carboxylate
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Formula C17H20BrNO4
InChI InChI=1S/C17H20BrNO4/c1-5-22-15(20)8-11-10-19(16(21)23-17(2,3)4)14-7-6-12(18)9-13(11)14/h6-7,9-10H,5,8H2,1-4H3
InChIKey KCSRYKYFAQZHFX-UHFFFAOYSA-N
Molecular Weight 382.254 g/mol
SMILES C([n]1cc(CC(=O)OCC)c2c1ccc(Br)c2)(OC(C)(C)C)=O
SPLASH splash10-0a7i-3095000000-641a8b450eaf5490640e
Source of Spectrum F-51-10336-13
Wiley ID 793526