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2-Amino-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile

View entire compound with spectra: 2 NMR

2-Amino-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
SpectraBase Compound ID FJ86EVRcSti
InChI InChI=1S/C16H13ClFN3/c17-11-5-3-6-12(18)15(11)14-9-4-1-2-7-13(9)21-16(20)10(14)8-19/h3,5-6H,1-2,4,7H2,(H2,20,21)
InChIKey VCDPQNMBXMVMIW-UHFFFAOYSA-N
Mol Weight 301.75 g/mol
Molecular Formula C16H13ClFN3
Exact Mass 301.078203 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D9NUDoea69a
Name 2-Amino-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 301.078203294 u
Formula C16H13ClFN3
InChI InChI=1S/C16H13ClFN3/c17-11-5-3-6-12(18)15(11)14-9-4-1-2-7-13(9)21-16(20)10(14)8-19/h3,5-6H,1-2,4,7H2,(H2,20,21)
InChIKey VCDPQNMBXMVMIW-UHFFFAOYSA-N
Molecular Weight 301.752 g/mol
SMILES NC=1C(=C(C2=C(F)C=CC=C2Cl)C2=C(N1)CCCC2)C#N