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2-Benzoyl-1,2,3,4-tetrahydro-1-(3',3',3'-trichloro-2'-oxopropyl)-.beta.-carboline

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-Benzoyl-1,2,3,4-tetrahydro-1-(3',3',3'-trichloro-2'-oxopropyl)-.beta.-carboline
SpectraBase Compound ID HPKqckKXfAm
InChI InChI=1S/C21H17Cl3N2O2/c22-21(23,24)18(27)12-17-19-15(14-8-4-5-9-16(14)25-19)10-11-26(17)20(28)13-6-2-1-3-7-13/h1-9,17,25H,10-12H2
InChIKey CQIDSVVVWJHMLQ-UHFFFAOYSA-N
Mol Weight 435.74 g/mol
Molecular Formula C21H17Cl3N2O2
Exact Mass 434.035561 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Joj6x5UUsTy
Name 2-Benzoyl-1,2,3,4-tetrahydro-1-(3',3',3'-trichloro-2'-oxopropyl)-.beta.-carboline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.035560893 u
Formula C21H17Cl3N2O2
InChI InChI=1S/C21H17Cl3N2O2/c22-21(23,24)18(27)12-17-19-15(14-8-4-5-9-16(14)25-19)10-11-26(17)20(28)13-6-2-1-3-7-13/h1-9,17,25H,10-12H2
InChIKey CQIDSVVVWJHMLQ-UHFFFAOYSA-N
Molecular Weight 435.738 g/mol
SMILES C=12C(N(C(=O)C3=CC=CC=C3)CCC1C=1C=CC=CC1N2)CC(C(Cl)(Cl)Cl)=O