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2-acetamido-3-(4-bromanyl-1H-indol-3-yl)propanoic acid
SpectraBase Compound ID JdaVdIK0JI8
InChI InChI=1S/C13H13BrN2O3/c1-7(17)16-11(13(18)19)5-8-6-15-10-4-2-3-9(14)12(8)10/h2-4,6,11,15H,5H2,1H3,(H,16,17)(H,18,19)
InChIKey ZHOLTNDTYQGXRY-UHFFFAOYSA-N
Mol Weight 325.16 g/mol
Molecular Formula C13H13BrN2O3
Exact Mass 324.010955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 73IozBW3qRr
Name 2-acetamido-3-(4-bromanyl-1H-indol-3-yl)propanoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C13H13BrN2O3
InChI InChI=1S/C13H13BrN2O3/c1-7(17)16-11(13(18)19)5-8-6-15-10-4-2-3-9(14)12(8)10/h2-4,6,11,15H,5H2,1H3,(H,16,17)(H,18,19)
InChIKey ZHOLTNDTYQGXRY-UHFFFAOYSA-N
Molecular Weight 325.162 g/mol
SMILES [nH]1c2c(c(CC(C(=O)O)NC(=O)C)c1)c(ccc2)Br
SPLASH splash10-0a4i-0090000000-668289dfac883a2ded41
Source of Spectrum O1-55-656-11
Synonyms 2-acetamido-3-(4-bromo-1H-indol-3-yl)propanoic acid 2-acetamido-3-(4-bromo-1H-indol-3-yl)propionic acid
Wiley ID 1591255