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Benzenesulfinic acid, 4-methyl-, 1,1-bis(1-methylethyl)-2-propynyl ester
SpectraBase Compound ID Cnnc110nyjf
InChI InChI=1S/C16H22O2S/c1-7-16(12(2)3,13(4)5)18-19(17)15-10-8-14(6)9-11-15/h1,8-13H,2-6H3
InChIKey LUJPEZUYABVSAB-UHFFFAOYSA-N
Mol Weight 278.41 g/mol
Molecular Formula C16H22O2S
Exact Mass 278.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F5rF9UmfJCs
Name Benzenesulfinic acid, 4-methyl-, 1,1-bis(1-methylethyl)-2-propynyl ester
CAS Registry Number 109787-27-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O2S
InChI InChI=1S/C16H22O2S/c1-7-16(12(2)3,13(4)5)18-19(17)15-10-8-14(6)9-11-15/h1,8-13H,2-6H3
InChIKey LUJPEZUYABVSAB-UHFFFAOYSA-N
Molecular Weight 278.410 g/mol
SMILES C(OS(c1ccc(cc1)C)=O)(C#C)(C(C)C)C(C)C
SPLASH splash10-000x-9300000000-4cf15d429f9ff413c76c
Source of Spectrum J-52-4036-5
Synonyms 1,1-bis(1-methylethyl)-2-propynyl 4-methylbenzenesulfinate 1,1-Diisopropyl-2-propynyl 4-methylbenzenesulfinate
Wiley ID 1281990