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Benzenemethanol, 2-methyl-.alpha.-methylene-, 4-methylbenzenesulfonate
SpectraBase Compound ID 4yKhbRQT94O
InChI InChI=1S/C16H16O3S/c1-12-8-10-15(11-9-12)20(17,18)19-14(3)16-7-5-4-6-13(16)2/h4-11H,3H2,1-2H3
InChIKey GAIYXPZSDHIVKA-UHFFFAOYSA-N
Mol Weight 288.36 g/mol
Molecular Formula C16H16O3S
Exact Mass 288.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8eYtk3ZrXNH
Name Benzenemethanol, 2-methyl-.alpha.-methylene-, 4-methylbenzenesulfonate
Alternate Name(s) 1-(2-Methylphenyl)vinyl 4-methylbenzenesulfonate 1-(2-Methylphenyl)vinyl tosylate
CAS Registry Number 74331-76-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O3S
InChI InChI=1S/C16H16O3S/c1-12-8-10-15(11-9-12)20(17,18)19-14(3)16-7-5-4-6-13(16)2/h4-11H,3H2,1-2H3
InChIKey GAIYXPZSDHIVKA-UHFFFAOYSA-N
Molecular Weight 288.361 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)(c1c(C)cccc1)=C
SPLASH splash10-014l-4900000000-71d59c48050c017af54c
Source of Spectrum J-45-3900-0
Wiley ID 1291640