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(R)-1-(2-Bromophenyl)-2,3,4,9-tetrahydro-1H-pyrido-[3,4-b]indole
SpectraBase Compound ID GVZzLTQE6q2
InChI InChI=1S/C17H15BrN2/c18-14-7-3-1-6-13(14)16-17-12(9-10-19-16)11-5-2-4-8-15(11)20-17/h1-8,16,19-20H,9-10H2/t16-/m1/s1
InChIKey DJFBBNZOXCQBNF-MRXNPFEDSA-N
Mol Weight 327.23 g/mol
Molecular Formula C17H15BrN2
Exact Mass 326.041861 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkctAHdtyJQ
Name (R)-1-(2-Bromophenyl)-2,3,4,9-tetrahydro-1H-pyrido-[3,4-b]indole
Appearance Colourless solid
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Formula C17H15BrN2
InChI InChI=1S/C17H15BrN2/c18-14-7-3-1-6-13(14)16-17-12(9-10-19-16)11-5-2-4-8-15(11)20-17/h1-8,16,19-20H,9-10H2/t16-/m1/s1
InChIKey DJFBBNZOXCQBNF-MRXNPFEDSA-N
Instrument Name GC-MS
Ionization Type EI
Literature Reference DOI 10.1002/chem.202004449
Molecular Weight 327.225 g/mol
Optical Rotation [a]D20 = -20.0 (c = 1.0, MeOH)
Reported Formula C17H15BrN2
SMILES [nH]1c2c(CCN[C@@]2(c2c(cccc2)Br)[H])c2ccccc12
SPLASH splash10-00or-1696000000-df4a5083555d385dc83c
Source of Spectrum QE-26-SM109-(R)-3i
Thin-Layer Chromatography Rf = 0.37 (silica gel 60, cyclohexane/EtOAc = 2:1, UV)
Wiley ID 1841258