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4-Tert-Butylbenzenesulfinic acid methyl ester
SpectraBase Compound ID 653J4iVeBTj
InChI InChI=1S/C11H16O2S/c1-11(2,3)9-5-7-10(8-6-9)14(12)13-4/h5-8H,1-4H3
InChIKey LMBXMQNEXUUCPS-UHFFFAOYSA-N
Mol Weight 212.31 g/mol
Molecular Formula C11H16O2S
Exact Mass 212.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JE1Fr5t6Rdo
Name 4-Tert-Butylbenzenesulfinic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O2S
InChI InChI=1S/C11H16O2S/c1-11(2,3)9-5-7-10(8-6-9)14(12)13-4/h5-8H,1-4H3
InChIKey LMBXMQNEXUUCPS-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol103030w
Molecular Weight 212.307 g/mol
SMILES c1c(S(=O)OC)ccc(c1)C(C)(C)C
SPLASH splash10-00lr-0910000000-16113c6b973059d3c3e5
Source of Spectrum A1-13-768/SMS4-arb3
Synonyms Methyl 4-(tert-butyl)benzenesulfinate Methyl 4-tert-butylbenzenesulfinate
Wiley ID 1749923