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7-Benzyl-2-exo-(6-chloro-3-pyridyl)-3-endo-nitro-7-azabicyclo[2.2.1]heptane
SpectraBase Compound ID 1G8xlopKG3T
InChI InChI=1S/C18H18ClN3O2/c19-16-9-6-13(10-20-16)17-14-7-8-15(18(17)22(23)24)21(14)11-12-4-2-1-3-5-12/h1-6,9-10,14-15,17-18H,7-8,11H2/t14-,15-,17-,18-/m0/s1
InChIKey MCYUXYLYXIMAJU-LAQRGFTBSA-N
Mol Weight 343.81 g/mol
Molecular Formula C18H18ClN3O2
Exact Mass 343.108755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AV407e6TH8i
Name 7-Benzyl-2-exo-(6-chloro-3-pyridyl)-3-endo-nitro-7-azabicyclo[2.2.1]heptane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18ClN3O2
InChI InChI=1S/C18H18ClN3O2/c19-16-9-6-13(10-20-16)17-14-7-8-15(18(17)22(23)24)21(14)11-12-4-2-1-3-5-12/h1-6,9-10,14-15,17-18H,7-8,11H2/t14-,15-,17-,18-/m0/s1
InChIKey MCYUXYLYXIMAJU-LAQRGFTBSA-N
Molecular Weight 343.814 g/mol
SMILES [C@]1([C@]2(N(Cc3ccccc3)[C@]([C@@]1(c1cnc(cc1)Cl)[H])(CC2)[H])[H])(N(=O)=O)[H]
SPLASH splash10-001i-9200000000-5671d38c984a710df7e3
Source of Spectrum J-63-768-42
Synonyms 7-Benzyl-2-(6-chloro-3-pyridinyl)-3-nitro-7-azabicyclo[2.2.1]heptane
Wiley ID 1337254