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exo-4,anti-8-dichloro-7,7-dimethyl-6-(4-methylphenylsulfonyl)-6-azabicyclo[3.2.1]octane
SpectraBase Compound ID CMMjLt84KV0
InChI InChI=1S/C16H21Cl2NO2S/c1-10-4-6-11(7-5-10)22(20,21)19-15-13(17)9-8-12(14(15)18)16(19,2)3/h4-7,12-15H,8-9H2,1-3H3
InChIKey BSHRCXNVKWNMCB-UHFFFAOYSA-N
Mol Weight 362.32 g/mol
Molecular Formula C16H21Cl2NO2S
Exact Mass 361.067005 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Q7v4GR0iWc
Name exo-4,anti-8-dichloro-7,7-dimethyl-6-(4-methylphenylsulfonyl)-6-azabicyclo[3.2.1]octane
CAS Registry Number 109638-34-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21Cl2NO2S
InChI InChI=1S/C16H21Cl2NO2S/c1-10-4-6-11(7-5-10)22(20,21)19-15-13(17)9-8-12(14(15)18)16(19,2)3/h4-7,12-15H,8-9H2,1-3H3
InChIKey BSHRCXNVKWNMCB-UHFFFAOYSA-N
Molecular Weight 362.315 g/mol
SMILES c1(S(N2C3C(Cl)C(C2(C)C)CCC3Cl)(=O)=O)ccc(cc1)C
SPLASH splash10-052g-6339000000-82427d0050e0dbf5dc22
Source of Spectrum K-120-1777-15
Synonyms 4,8-Dichloro-7,7-dimethyl-6-[(4-methylphenyl)sulfonyl]-6-azabicyclo[3.2.1]octane
Wiley ID 1348876