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endo-7-(4-Chlorophenyl)-6-(4-(tolylsulfonyl)-6-azabicyclo[3.2.2]nonan-8-one
SpectraBase Compound ID FrFYjQKvd5H
InChI InChI=1S/C21H22ClNO3S/c1-14-5-11-18(12-6-14)27(25,26)23-17-3-2-4-19(20(24)13-17)21(23)15-7-9-16(22)10-8-15/h5-12,17,19,21H,2-4,13H2,1H3/t17-,19+,21-/m1/s1
InChIKey NTKIMOBXTUMFQY-SLYNCCJLSA-N
Mol Weight 403.92 g/mol
Molecular Formula C21H22ClNO3S
Exact Mass 403.100892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2WfYR9FCzUC
Name endo-7-(4-Chlorophenyl)-6-(4-(tolylsulfonyl)-6-azabicyclo[3.2.2]nonan-8-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22ClNO3S
InChI InChI=1S/C21H22ClNO3S/c1-14-5-11-18(12-6-14)27(25,26)23-17-3-2-4-19(20(24)13-17)21(23)15-7-9-16(22)10-8-15/h5-12,17,19,21H,2-4,13H2,1H3/t17-,19+,21-/m1/s1
InChIKey NTKIMOBXTUMFQY-SLYNCCJLSA-N
Molecular Weight 403.924 g/mol
SMILES [C@]1(N(S(c2ccc(cc2)C)(=O)=O)[C@@]2(CCC[C@]1(C(C2)=O)[H])[H])(c1ccc(cc1)Cl)[H]
SPLASH splash10-0udl-5090000000-a1583283ebb373c07ef4
Source of Spectrum U1-2002-3677-7
Synonyms exo-7-(4-Chlorophenyl)-6-(4-(tolylsulfonyl)-6-azabicyclo[3.2.2]nonan-8-one
Wiley ID 1523394