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7-Benzyl-2-endo-(6-chloro-3-pyridyl)-3-endo-cyano-7-azabicyclo[2.2.1]heptane
SpectraBase Compound ID JD3QElKunus
InChI InChI=1S/C19H18ClN3/c20-18-9-6-14(11-22-18)19-15(10-21)16-7-8-17(19)23(16)12-13-4-2-1-3-5-13/h1-6,9,11,15-17,19H,7-8,12H2/t15-,16+,17-,19-/m0/s1
InChIKey UIQKEENHGAWHIN-UHFFFAOYSA-N
Mol Weight 323.83 g/mol
Molecular Formula C19H18ClN3
Exact Mass 323.118925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HnTin67fdye
Name 7-Benzyl-2-endo-(6-chloro-3-pyridyl)-3-endo-cyano-7-azabicyclo[2.2.1]heptane
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18ClN3
InChI InChI=1S/C19H18ClN3/c20-18-9-6-14(11-22-18)19-15(10-21)16-7-8-17(19)23(16)12-13-4-2-1-3-5-13/h1-6,9,11,15-17,19H,7-8,12H2/t15-,16+,17-,19-/m0/s1
InChIKey UIQKEENHGAWHIN-UHFFFAOYSA-N
Molecular Weight 323.827 g/mol
SMILES [C@@]12(N([C@@]([C@@]([C@@]2(c2cnc(cc2)Cl)[H])(C#N)[H])(CC1)[H])Cc1ccccc1)[H]
SPLASH splash10-052f-9800000000-4259a40b33643f0c8c73
Source of Spectrum J-63-767-41
Synonyms 7-Benzyl-2-endo-(6-chloro-3-pyridyl)-3-exo-cyano-7-azabicyclo[2.2.1]heptane 7-Benzyl-2-exo-(6-chloro-3-pyridyl)-3-exo-cyano-7-azabicyclo[2.2.1]heptane 7-Benzyl-3-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carbonitrile
Wiley ID 1322522