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Methyl 4-methylbenzenesulfonate
SpectraBase Compound ID AVwqnTQ1MO7
InChI InChI=1S/C8H10O3S/c1-7-3-5-8(6-4-7)12(9,10)11-2/h3-6H,1-2H3/i2D3
InChIKey VUQUOGPMUUJORT-BMSJAHLVSA-N
Mol Weight 189.24 g/mol
Molecular Formula C8H72D3O3S
Exact Mass 189.053896 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G7MkaMZ3o2L
Name Methyl 4-methylbenzenesulfonate
CAS Registry Number 7575-93-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7D3O3S
InChI InChI=1S/C8H10O3S/c1-7-3-5-8(6-4-7)12(9,10)11-2/h3-6H,1-2H3/i2D3
InChIKey VUQUOGPMUUJORT-BMSJAHLVSA-N
Molecular Weight 189.243 g/mol
SMILES Cc1ccc(cc1)S(=O)(=O)OC([2D])([2D])[2D]
SPLASH splash10-0006-9400000000-f4a54022ef7828c91a28
Source of Spectrum KC-0-1230-0
Synonyms Trideuteriomethyl 4-methylbenzenesulfonate
Wiley ID 827815