S-ETHYLISOTHIOUREA HYDROBROMIDE(1071-37-0) 1H NMR
Product NameS-ETHYLISOTHIOUREA HYDROBROMIDE
CAS1071-37-0
Molecular FormulaC3H9BrN2S
Molecular Weight185.09
InChIInChI=1S/C3H8N2S.BrH/c1-2-6-3(4)5;/h2H2,1H3,(H3,4,5);1H
InChIKey SWXXKWPYNMZFTE-UHFFFAOYSA-N
SmilesS(CC)C(=N)N.Br
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MassMS-NW-5484 2-ethylisothiourea hydrobromide C3H8N2S HBr (Mass of molecular ion: 104)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
13.0 1.0 18.0 1.8 26.0 2.8 27.0 13.2 28.0 7.9 29.0 12.8 32.0 1.0 34.0 2.4 35.0 3.8 41.0 1.8 42.0 13.8 43.0 100.0 44.0 6.1 45.0 4.4 46.0 4.8 47.0 11.9 48.0 1.4 57.0 1.3 58.0 2.7 59.0 3.7 60.0 4.9 61.0 4.5 62.0 15.3 71.0 16.9 76.0 20.6 78.0 1.1 79.0 9.6 80.0 25.9 81.0 9.5 82.0 25.3 89.0 1.8 104.0 7.2
90 MHz in D2O
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1H NMR 89.56 MHz C3 H8 N2 S saturated in D2O 2-ethylisothiourea hydrobromide 
Assign. Shift(ppm)
A 3.141 B 1.384 SOLVENT PEAK REMOVED
Hz ppm Int.293.50 3.278 116 285.81 3.192 446 278.38 3.109 490 271.06 3.027 161 130.94 1.463 519 123.69 1.382 1000 116.19 1.298 420
KBr disc
liquid film
nujol mull
