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(2,3,6-trimethylphenyl) 4-methylbenzenesulfonate
SpectraBase Compound ID IrOVQrrmnwP
InChI InChI=1S/C16H18O3S/c1-11-5-9-15(10-6-11)20(17,18)19-16-13(3)8-7-12(2)14(16)4/h5-10H,1-4H3
InChIKey XYUQERQDXVPIGK-UHFFFAOYSA-N
Mol Weight 290.38 g/mol
Molecular Formula C16H18O3S
Exact Mass 290.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 33IeSyMbXkj
Name (2,3,6-trimethylphenyl) 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O3S
InChI InChI=1S/C16H18O3S/c1-11-5-9-15(10-6-11)20(17,18)19-16-13(3)8-7-12(2)14(16)4/h5-10H,1-4H3
InChIKey XYUQERQDXVPIGK-UHFFFAOYSA-N
Molecular Weight 290.377 g/mol
SMILES c1(OS(c2ccc(cc2)C)(=O)=O)c(c(C)ccc1C)C
SPLASH splash10-000l-8910000000-ebd92094e53ed3bc5d62
Source of Spectrum MZ-34-1203-2
Synonyms 4-Methylbenzenesulfonic acid (2,3,6-trimethylphenyl) ester
Wiley ID 1582130