2-DIETHYLAMINOETHANETHIOL HYDROCHLORIDE(1942-52-5) 13C NMR
Product Name2-DIETHYLAMINOETHANETHIOL HYDROCHLORIDE
CAS1942-52-5
Molecular FormulaC6H16ClNS
Molecular Weight169.72
InChIInChI=1S/C6H15NS.ClH/c1-3-7(4-2)5-6-8;/h8H,3-6H2,1-2H3;1H
InChIKey QAXLTZBBDSDRPW-UHFFFAOYSA-N
SmilesC(S)CN(CC)CC.[H]Cl
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MassMS-NW-6476 2-(diethylamino)ethanethiol hydrochloride C6H15NS HCl (Mass of molecular ion: 133)
Source Temperature: 200 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 1.0 18.0 1.0 27.0 4.8 28.0 4.8 29.0 5.8 30.0 17.8 35.0 1.5 36.0 15.1 38.0 4.8 41.0 1.1 42.0 4.9 44.0 6.5 56.0 3.9 57.0 1.2 58.0 25.3 59.0 1.1 61.0 5.7 70.0 1.0 72.0 4.4 86.0 100.0 87.0 6.0 100.0 4.4 133.0 2.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H15 N S 0.041 g : 0.5 ml CDCl3 2-(diethylamino)ethanethiol hydrochloride 
Assign. Shift(ppm)
A 12. B 3.57 to 2.76 C 2.37 D 1.444
Hz ppm Int.306.68 3.425 34 306.25 3.420 33 304.20 3.397 51 301.89 3.371 77 300.95 3.361 80 299.33 3.343 89 297.11 3.318 113 294.37 3.287 254 289.59 3.234 287 286.77 3.202 307 282.32 3.153 273 279.68 3.123 154 276.51 3.088 115 274.80 3.069 159 271.39 3.031 76 268.23 2.995 57 266.26 2.973 61 261.13 2.916 34 260.79 2.912 34 218.58 2.441 51 210.55 2.351 69 136.29 1.522 494 129.03 1.441 1000 121.68 1.359 405
in CDCl3
KBr disc
nujol mull
