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S-Methyl 4-(tert-butyl)benzothioate
SpectraBase Compound ID HPnlYgM7aZP
InChI InChI=1S/C12H16OS/c1-12(2,3)10-7-5-9(6-8-10)11(13)14-4/h5-8H,1-4H3
InChIKey XDPPGGSEBMDYLC-UHFFFAOYSA-N
Mol Weight 208.32 g/mol
Molecular Formula C12H16OS
Exact Mass 208.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D6hygW2w7k5
Name S-Methyl 4-(tert-butyl)benzothioate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16OS
InChI InChI=1S/C12H16OS/c1-12(2,3)10-7-5-9(6-8-10)11(13)14-4/h5-8H,1-4H3
InChIKey XDPPGGSEBMDYLC-UHFFFAOYSA-N
Instrument Name Shimadzu 2010
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00665
Molecular Weight 208.319 g/mol
SMILES CSC(c1ccc(cc1)C(C)(C)C)=O
SPLASH splash10-03di-2900000000-73240e1523b133b1f8ad
Source of Spectrum JOC-86-8801-3c
Wiley ID 1867835