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2-Chloro-5-nitro-6-phenylsulfonyl-3-(phenylthio)bicyclo[2.2.1]heptane
SpectraBase Compound ID G81ULYnguaQ
InChI InChI=1S/C19H18ClNO4S2/c20-16-14-11-15(18(16)26-12-7-3-1-4-8-12)17(21(22)23)19(14)27(24,25)13-9-5-2-6-10-13/h1-10,14-19H,11H2/t14-,15-,16-,17-,18-,19-/m1/s1
InChIKey BYUFONGKVZLIQU-MGYGNFHQSA-N
Mol Weight 423.93 g/mol
Molecular Formula C19H18ClNO4S2
Exact Mass 423.036578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4vwCJq4v8xc
Name 2-Chloro-5-nitro-6-phenylsulfonyl-3-(phenylthio)bicyclo[2.2.1]heptane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18ClNO4S2
InChI InChI=1S/C19H18ClNO4S2/c20-16-14-11-15(18(16)26-12-7-3-1-4-8-12)17(21(22)23)19(14)27(24,25)13-9-5-2-6-10-13/h1-10,14-19H,11H2/t14-,15-,16-,17-,18-,19-/m1/s1
InChIKey BYUFONGKVZLIQU-MGYGNFHQSA-N
Molecular Weight 423.929 g/mol
SMILES [C@]1([C@@]([C@]2(C[C@@]1([C@]([C@@]2(Sc1ccccc1)[H])(Cl)[H])[H])[H])(N(=O)=O)[H])(S(=O)(=O)c1ccccc1)[H]
SPLASH splash10-004i-0900000000-e67c649d7d1a7974b478
Source of Spectrum KC-0-4354-20
Synonyms 2-Chloro-5-nitro-3-(phenylsulfanyl)-6-(phenylsulfonyl)bicyclo[2.2.1]heptane 6-Chloro-3-nitro-5-(phenylsulfanyl)bicyclo[2.2.1]hept-2-yl phenyl sulfone endo-(1S*2R*,3R*,4R*,5R*,6R*)-2-Chloro-5nitro-6-phenylsulfonyl-3-(phenylthio)bicyclo[2.2.1]heptane
Wiley ID 832120