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1-(3-bromophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SpectraBase Compound ID FDc1BPSUwuS
InChI InChI=1S/C17H15BrN2/c18-12-5-3-4-11(10-12)16-17-14(8-9-19-16)13-6-1-2-7-15(13)20-17/h1-7,10,16,19-20H,8-9H2
InChIKey JLLIXGNATVZMLM-UHFFFAOYSA-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 1zYa51mpLk
Name 1-(3-bromophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Carrier Gas Helium (1 ml/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.041861491 u
Formula C17H15BrN2
GC Column HP-5ms (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 300oC
InChI InChI=1S/C17H15BrN2/c18-12-5-3-4-11(10-12)16-17-14(8-9-19-16)13-6-1-2-7-15(13)20-17/h1-7,10,16,19-20H,8-9H2
InChIKey JLLIXGNATVZMLM-UHFFFAOYSA-N
Inlet Type Split (90:1)
Instrument Name Agilent 7890A GC-5975C MSD
Ionization Type EI
Literature Reference DOI 10.1002/cbic.202300170
Quality 813
SMILES N1CCC2=C(C1C1=CC(Br)=CC=C1)NC1=C2C=CC=C1
SPLASH splash10-016r-2964000000-9d8798fdeb3711093bad
Source of Spectrum CBC-24-SM48-15k (DOI: 10.1002/cbic.202300170)
Wiley ID 1909999