tert-Butyl sulfide(107-47-1) IR2
Product Nametert-Butyl sulfide
CAS107-47-1
Molecular FormulaC8H18S
Molecular Weight146.29
InChIInChI=1S/C8H18S/c1-7(2,3)9-8(4,5)6/h1-6H3
InChIKey LNMBCRKRCIMQLW-UHFFFAOYSA-N
SmilesS(C(C)(C)C)C(C)(C)C
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MassMS-NW-0914 di-tert-butyl sulfide C8H18S (Mass of molecular ion: 146)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 3.1 28.0 1.2 29.0 12.1 39.0 6.0 41.0 25.3 42.0 1.1 47.0 1.0 55.0 4.3 56.0 10.1 57.0 100.0 58.0 4.3 59.0 3.0 75.0 8.1 88.0 1.6 89.0 1.9 90.0 4.5 91.0 2.1 146.0 11.1 147.0 1.1
parameter in CDCl3
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1H NMR 300 MHz C8 H18 S 0.04 ml : 0.5 ml CDCl3 di-tert-butyl sulfide 
Parameter ppm Hz
D(A) 1.422
Hz ppm Int.426.60 1.422 1000
in CDCl3
CCl4 solution
liquid film
