2-DIISOPROPYLAMINOETHANETHIOL HYDROCHLORIDE(41480-75-5) IR1
Product Name2-DIISOPROPYLAMINOETHANETHIOL HYDROCHLORIDE
CAS41480-75-5
Molecular FormulaC8H20ClNS
Molecular Weight197.77
InChIInChI=1S/C8H19NS.ClH/c1-7(2)9(5-6-10)8(3)4;/h7-8,10H,5-6H2,1-4H3;1H
InChIKey UTPHRZRWMXLNIK-UHFFFAOYSA-N
SmilesN(C(C)C)(C(C)C)CCS.Cl
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MassMS-NW-4546 2-(diisopropylamino)ethanethiol hydrochloride C8H19NS HCl (Mass of molecular ion: 161)
Source Temperature: 170 °C Sample Temperature: 130 °C Direct, 75 eV
15.0 2.5 17.0 4.6 18.0 19.0 26.0 1.3 27.0 12.5 28.0 6.6 29.0 1.4 30.0 43.1 35.0 3.6 36.0 19.6 37.0 1.2 38.0 6.6 39.0 4.4 41.0 13.9 42.0 13.5 43.0 20.6 44.0 47.0 45.0 4.5 47.0 1.1 54.0 1.4 55.0 1.2 56.0 6.8 57.0 1.2 58.0 7.7 59.0 4.1 60.0 3.9 61.0 7.7 68.0 1.5 70.0 13.0 71.0 1.9 72.0 32.7 73.0 1.9 76.0 1.4 82.0 1.3 84.0 6.2 85.0 1.4 86.0 18.1 87.0 1.2 98.0 1.5 100.0 1.2 101.0 1.1 102.0 1.7 104.0 1.0 106.0 1.2 112.0 2.3 114.0 100.0 115.0 7.9 118.0 2.1 127.0 2.0 128.0 3.0 142.0 2.4 144.0 3.8 146.0 2.7 157.0 2.1 160.0 1.8 161.0 1.1 165.0 1.2 193.0 2.0 194.0 1.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H19 N S 0.047 g : 0.5 ml CDCl3 2-(diisopropylamino)ethanethiol hydrochloride 
Assign. Shift(ppm)
A 11.1 B 3.67 C 3.36 to 2.93 D 2.46 E *1 1.557 F *1 1.468
Hz ppm Int.337.14 3.765 55 332.78 3.716 60 330.55 3.691 77 328.33 3.667 36 326.11 3.642 76 324.13 3.620 63 319.53 3.568 56 317.94 3.551 31 317.54 3.546 31 306.91 3.427 40 306.27 3.420 38 294.61 3.290 30 286.20 3.196 310 277.00 3.093 37 276.52 3.088 33 228.28 2.549 31 227.72 2.543 33 227.25 2.538 32 226.61 2.531 31 220.34 2.461 48 220.03 2.457 48 142.74 1.594 873 136.00 1.519 973 134.73 1.505 1000 131.08 1.464 139 128.14 1.431 793 123.22 1.376 31
in CDCl3
KBr disc
nujol mull
