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1-(3',5'-Dimethyl-4'-isoxazolyl)-3-chloropropyl-(p-tolyl)sulfone
SpectraBase Compound ID 1AVFp5mhKDm
InChI InChI=1S/C15H18ClNO3S/c1-10-4-6-13(7-5-10)21(18,19)14(8-9-16)15-11(2)17-20-12(15)3/h4-7,14H,8-9H2,1-3H3
InChIKey SINIJUGPHUVPGV-UHFFFAOYSA-N
Mol Weight 327.83 g/mol
Molecular Formula C15H18ClNO3S
Exact Mass 327.069592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DQnbjMacdUm
Name 1-(3',5'-Dimethyl-4'-isoxazolyl)-3-chloropropyl-(p-tolyl)sulfone
Alternate Name(s) 3-Chloro-1-(3,5-dimethyl-4-isoxazolyl)propyl 4-methylphenyl sulfone 4-{3-chloro-1-[(4-methylphenyl)sulfonyl]propyl}-3,5-dimethylisoxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18ClNO3S
InChI InChI=1S/C15H18ClNO3S/c1-10-4-6-13(7-5-10)21(18,19)14(8-9-16)15-11(2)17-20-12(15)3/h4-7,14H,8-9H2,1-3H3
InChIKey SINIJUGPHUVPGV-UHFFFAOYSA-N
Molecular Weight 327.826 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(c1c(onc1C)C)CCCl
SPLASH splash10-00di-5900000000-6916561ffa8ce3874851
Source of Spectrum Y4-83-190-24
Wiley ID 1549978