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.beta.-(Dimethylamino)ethyl p-toluenethiosulfonate
SpectraBase Compound ID CTr2UqsQ0ho
InChI InChI=1S/C11H17NO2S2/c1-10-4-6-11(7-5-10)16(13,14)15-9-8-12(2)3/h4-7H,8-9H2,1-3H3
InChIKey YMXGBWGBEZHMMX-UHFFFAOYSA-N
Mol Weight 259.38 g/mol
Molecular Formula C11H17NO2S2
Exact Mass 259.070071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31zLDh9lqjn
Name .beta.-(Dimethylamino)ethyl p-toluenethiosulfonate
Alternate Name(s) O-[2-(dimethylamino)ethyl]4-methylbenzenesulfonothioate
CAS Registry Number 139131-28-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17NO2S2
InChI InChI=1S/C11H17NO2S2/c1-10-4-6-11(7-5-10)16(13,14)15-9-8-12(2)3/h4-7H,8-9H2,1-3H3
InChIKey YMXGBWGBEZHMMX-UHFFFAOYSA-N
Molecular Weight 259.382 g/mol
SMILES c1(S(=O)(=O)SCCN(C)C)ccc(cc1)C
SPLASH splash10-0r00-9440000000-5fdd0452d751c1036fb1
Source of Spectrum J-57-2598-2
Wiley ID 1262499