N,N'-Diisopropylthiourea(2986-17-6) Raman
Product NameN,N'-Diisopropylthiourea
CAS2986-17-6
Molecular FormulaC7H16N2S
Molecular Weight160.28
InChIInChI=1S/C7H16N2S/c1-5(2)8-7(10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10)
InChIKey KREOCUNMMFZOOS-UHFFFAOYSA-N
SmilesN(C(C)C)C(NC(C)C)=S
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MassMS-NW-0196 1,3-diisopropylthiourea C7H16N2S (Mass of molecular ion: 160)
Source Temperature: 200 °C Sample Temperature: 0 °C Direct, 75 eV
15.0 1.5 18.0 2.2 27.0 6.4 28.0 3.8 30.0 1.6 39.0 4.0 41.0 12.8 42.0 7.1 43.0 14.3 44.0 11.7 57.0 1.4 58.0 100.0 59.0 3.7 60.0 10.5 62.0 1.0 64.0 1.3 69.0 2.4 70.0 3.1 75.0 1.7 85.0 4.7 90.0 1.1 102.0 1.0 103.0 1.1 117.0 3.3 159.0 2.7 160.0 42.1 161.0 4.3 162.0 2.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H16 N2 S 0.040 g : 0.5 ml CDCl3 1,3-diisopropylthiourea 
Assign. Shift(ppm)
A 5.80 B 4.24 C 1.236
Hz ppm Int.113.88 1.272 1000 110.13 1.230 33 107.38 1.199 942
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
