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Benzenesulfinic acid, 4-methyl-, 1,1-dimethyl-2-propynyl ester
SpectraBase Compound ID 6GHxTVlLAjh
InChI InChI=1S/C12H14O2S/c1-5-12(3,4)14-15(13)11-8-6-10(2)7-9-11/h1,6-9H,2-4H3
InChIKey BCTDPDMYGXIXQC-UHFFFAOYSA-N
Mol Weight 222.3 g/mol
Molecular Formula C12H14O2S
Exact Mass 222.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 83Ad82qFcU
Name Benzenesulfinic acid, 4-methyl-, 1,1-dimethyl-2-propynyl ester
Alternate Name(s) 1,1-Dimethyl-2-propynyl 4-methylbenzenesulfinate
CAS Registry Number 109787-25-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O2S
InChI InChI=1S/C12H14O2S/c1-5-12(3,4)14-15(13)11-8-6-10(2)7-9-11/h1,6-9H,2-4H3
InChIKey BCTDPDMYGXIXQC-UHFFFAOYSA-N
Molecular Weight 222.302 g/mol
SMILES C(OS(c1ccc(cc1)C)=O)(C#C)(C)C
SPLASH splash10-014u-9700000000-83640b3cbdc2c4475849
Source of Spectrum J-52-4036-5
Wiley ID 1222128