1-ADAMANTYLTHIOUREA(25444-82-0) IR2
Product Name1-ADAMANTYLTHIOUREA
CAS25444-82-0
Molecular FormulaC11H18N2S
Molecular Weight210.34
InChIInChI=1S/C11H18N2S/c12-10(14)13-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H3,12,13,14)
InChIKey LRWQENBAFMBIJR-UHFFFAOYSA-N
SmilesN(C12CC3CC(CC(C3)C1)C2)C(N)=S
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MassMS-IW-9300 1-(1-adamantyl)-2-thiourea C11H18N2S (Mass of molecular ion: 210)
Source Temperature: 160 °C Sample Temperature: 150 °C Direct, 75 eV
18.0 3.0 27.0 4.1 28.0 3.1 29.0 3.2 30.0 1.9 32.0 1.7 33.0 1.3 34.0 3.4 39.0 6.8 40.0 1.2 41.0 14.1 42.0 3.5 43.0 5.1 44.0 1.1 45.0 4.8 51.0 1.9 52.0 1.0 53.0 4.7 54.0 1.6 55.0 7.9 56.0 2.8 57.0 3.0 58.0 1.7 59.0 1.3 60.0 4.9 65.0 3.6 66.0 2.1 67.0 13.5 68.0 1.3 69.0 3.2 76.0 1.3 77.0 16.3 78.0 4.2 79.0 31.2 80.0 4.0 81.0 9.2 82.0 1.4 84.0 1.3 91.0 12.3 92.0 8.3 93.0 29.0 94.0 14.8 95.0 2.0 105.0 3.2 106.0 1.3 107.0 11.1 108.0 2.3 114.0 2.2 115.0 1.3 119.0 3.7 121.0 1.0 133.0 1.4 134.0 3.1 135.0 100.0 136.0 11.6 150.0 3.5 151.0 3.1 167.0 1.4 168.0 1.0 176.0 1.3 177.0 3.8 178.0 1.7 209.0 50.7 210.0 47.9 211.0 8.5 212.0 2.5
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C11 H18 N2 S 0.039 g : 0.5 ml DMSO-d6 1-(1-adamantyl)-2-thiourea 
Assign. Shift(ppm)
A 2.099 B 2.016 C 1.62
Hz ppm Int.2711.43 6.785 23 839.11 2.100 1000 805.91 2.017 502 660.40 1.653 115 657.47 1.646 97 647.46 1.621 933 645.63 1.616 905 632.20 1.582 115
in DMSO-d6
KBr disc
nujol mull
