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(R)-1-Phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SpectraBase Compound ID CNI295OrRpZ
InChI InChI=1S/C17H16N2/c1-2-6-12(7-3-1)16-17-14(10-11-18-16)13-8-4-5-9-15(13)19-17/h1-9,16,18-19H,10-11H2/t16-/m1/s1
InChIKey INERHEQVAVQJBO-MRXNPFEDSA-N
Mol Weight 248.33 g/mol
Molecular Formula C17H16N2
Exact Mass 248.131349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 56RT7eWkj2
Name (R)-1-Phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Alternate Name(s) (R)-1-phenyl-.beta.-carboline
Appearance Colourless solid foam
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16N2
InChI InChI=1S/C17H16N2/c1-2-6-12(7-3-1)16-17-14(10-11-18-16)13-8-4-5-9-15(13)19-17/h1-9,16,18-19H,10-11H2/t16-/m1/s1
InChIKey INERHEQVAVQJBO-MRXNPFEDSA-N
Instrument Name GC-MS
Ionization Type EI
Literature Reference DOI 10.1002/chem.202004449
Molecular Weight 248.329 g/mol
Optical Rotation [a]D20 = +14.2 (c = 0.62, EtOH)
Reported Formula C17H16N2
SMILES [nH]1c2c(CCN[C@@]2(c2ccccc2)[H])c2ccccc12
SPLASH splash10-014j-0390000000-ec11e79a42ffdb56f667
Sample Comments 99% ee
Source of Spectrum QE-26-SM94-(R)-3a
Thin-Layer Chromatography Rf = 0.82 (silica gel 60, MTBE/MeOH/NH3(aq.) = 90:9:1, UV)
Wiley ID 1841255