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1-(3',5'-Dimethyl-4'-isoxazolyl)-4-chlorobutyl-(p-tolyl)sulfone
SpectraBase Compound ID JE9eSrkT7hR
InChI InChI=1S/C16H20ClNO3S/c1-11-6-8-14(9-7-11)22(19,20)15(5-4-10-17)16-12(2)18-21-13(16)3/h6-9,15H,4-5,10H2,1-3H3
InChIKey DWMGNNWNWITUDD-UHFFFAOYSA-N
Mol Weight 341.85 g/mol
Molecular Formula C16H20ClNO3S
Exact Mass 341.085242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iqvu2kjJFiW
Name 1-(3',5'-Dimethyl-4'-isoxazolyl)-4-chlorobutyl-(p-tolyl)sulfone
Alternate Name(s) 4-Chloro-1-(3,5-dimethyl-4-isoxazolyl)butyl 4-methylphenyl sulfone 4-{4-chloro-1-[(4-methylphenyl)sulfonyl]butyl}-3,5-dimethylisoxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20ClNO3S
InChI InChI=1S/C16H20ClNO3S/c1-11-6-8-14(9-7-11)22(19,20)15(5-4-10-17)16-12(2)18-21-13(16)3/h6-9,15H,4-5,10H2,1-3H3
InChIKey DWMGNNWNWITUDD-UHFFFAOYSA-N
Molecular Weight 341.853 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(c1c(onc1C)C)CCCCl
SPLASH splash10-000f-9800000000-e9610af75475016eb954
Source of Spectrum Y4-83-190-23
Wiley ID 1549979