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Benzenesulfinic acid, 4-methyl-, 1,1-diethyl-2-propynyl ester
SpectraBase Compound ID 4X2E6NP1Ff6
InChI InChI=1S/C14H18O2S/c1-5-14(6-2,7-3)16-17(15)13-10-8-12(4)9-11-13/h1,8-11H,6-7H2,2-4H3
InChIKey VCOSATDZLUGLIP-UHFFFAOYSA-N
Mol Weight 250.36 g/mol
Molecular Formula C14H18O2S
Exact Mass 250.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KU2hz1AyMVc
Name Benzenesulfinic acid, 4-methyl-, 1,1-diethyl-2-propynyl ester
CAS Registry Number 109787-26-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2S
InChI InChI=1S/C14H18O2S/c1-5-14(6-2,7-3)16-17(15)13-10-8-12(4)9-11-13/h1,8-11H,6-7H2,2-4H3
InChIKey VCOSATDZLUGLIP-UHFFFAOYSA-N
Molecular Weight 250.356 g/mol
SMILES C(OS(c1ccc(cc1)C)=O)(C#C)(CC)CC
SPLASH splash10-0671-9300000000-a0cdbff7dd778ee172b8
Source of Spectrum J-52-4036-5
Synonyms 1,1-Diethyl-2-propynyl 4-methylbenzenesulfinate
Wiley ID 1253219