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1,3,5-trimethyl-2-(m-tolylsulfonyl)benzene
SpectraBase Compound ID 3xPK7gJ9FzX
InChI InChI=1S/C16H18O2S/c1-11-6-5-7-15(10-11)19(17,18)16-13(3)8-12(2)9-14(16)4/h5-10H,1-4H3
InChIKey XXZULIYPYBJODM-UHFFFAOYSA-N
Mol Weight 274.38 g/mol
Molecular Formula C16H18O2S
Exact Mass 274.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID nUn3Ej7R2
Name 1,3,5-trimethyl-2-(m-tolylsulfonyl)benzene
CAS Registry Number 21128-93-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O2S
InChI InChI=1S/C16H18O2S/c1-11-6-5-7-15(10-11)19(17,18)16-13(3)8-12(2)9-14(16)4/h5-10H,1-4H3
InChIKey XXZULIYPYBJODM-UHFFFAOYSA-N
Molecular Weight 274.378 g/mol
SMILES c1(S(c2cc(C)ccc2)(=O)=O)c(cc(cc1C)C)C
SPLASH splash10-0a4i-2960000000-b7d2d29f6ea4ff70e831
Source of Spectrum W5-1989-13213-1
Synonyms 1,3,5-trimethyl-2-[(3-methylphenyl)sulfonyl]benzene 1,3,5-trimethyl-2-(3-methylphenyl)sulfonylbenzene
Wiley ID 1278174