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2-(4'-Chlorophenylsulfonyl)bicyclo[3.3.1]nona-2,6-diene-7-carbonitrile
SpectraBase Compound ID DOZv9WohdHk
InChI InChI=1S/C16H14ClNO2S/c17-14-2-4-15(5-3-14)21(19,20)16-6-1-11-7-12(10-18)9-13(16)8-11/h2-7,11,13H,1,8-9H2
InChIKey DFWADKQBFSNYKW-UHFFFAOYSA-N
Mol Weight 319.81 g/mol
Molecular Formula C16H14ClNO2S
Exact Mass 319.043378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1GQPL62YICe
Name 2-(4'-Chlorophenylsulfonyl)bicyclo[3.3.1]nona-2,6-diene-7-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14ClNO2S
InChI InChI=1S/C16H14ClNO2S/c17-14-2-4-15(5-3-14)21(19,20)16-6-1-11-7-12(10-18)9-13(16)8-11/h2-7,11,13H,1,8-9H2
InChIKey DFWADKQBFSNYKW-UHFFFAOYSA-N
Molecular Weight 319.806 g/mol
SMILES C=1(S(c2ccc(cc2)Cl)(=O)=O)C2CC(C#N)=CC(CC1)C2
SPLASH splash10-0udi-4902000000-00d3e7271e55421578b9
Source of Spectrum U-1995-733-12
Synonyms 6-[(4-chlorophenyl)sulfonyl]bicyclo[3.3.1]nona-2,6-diene-3-carbonitrile
Wiley ID 766808