Dodecahydrotriphenylene(1610-39-5) MS
Product NameDodecahydrotriphenylene
CAS1610-39-5
Molecular FormulaC18H24
Molecular Weight240.38
InChIInChI=1S/C18H24/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H2
InChIKey ODHYDPYRIQKHCI-UHFFFAOYSA-N
SmilesC1C2=C(C3=C(C4=C2CCCC4)CCCC3)CCC1
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MassMS-NW-3282 1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrotriphenylene C18H24 (Mass of molecular ion: 240)
Source Temperature: 180 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 1.7 27.0 1.8 29.0 2.8 39.0 2.6 41.0 4.0 51.0 1.7 53.0 1.4 55.0 2.5 63.0 1.4 65.0 1.7 67.0 1.2 76.0 2.3 77.0 3.6 78.0 1.0 79.0 1.2 82.0 1.4 82.5 1.5 83.0 2.3 84.0 1.2 89.0 3.6 90.0 1.6 91.0 4.6 98.0 1.0 99.0 2.1 105.0 1.0 106.0 1.1 115.0 5.2 116.0 1.3 117.0 1.2 120.0 1.5 127.0 1.7 128.0 5.9 129.0 5.2 130.0 1.1 131.0 1.1 139.0 1.1 141.0 10.4 142.0 4.2 143.0 4.2 144.0 1.2 152.0 4.3 153.0 6.2 154.0 4.2 155.0 9.0 156.0 3.6 157.0 3.9 158.0 1.2 165.0 6.8 166.0 3.5 167.0 6.8 168.0 3.8 169.0 9.5 170.0 3.7 171.0 2.8 178.0 2.5 179.0 2.4 180.0 1.5 181.0 3.9 182.0 3.8 183.0 20.0 184.0 8.9 185.0 6.3 186.0 1.1 195.0 2.1 196.0 1.3 197.0 16.3 198.0 27.0 199.0 23.0 200.0 3.7 211.0 16.7 212.0 23.9 213.0 4.3 225.0 4.0 239.0 5.7 240.0 100.0 241.0 19.4 242.0 1.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C18 H24 0.048 g : 0.5 ml CDCl3 1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrotriphenylene 
Assign. Shift(ppm)
A 2.57 B 1.78
Hz ppm Int.1052.61 2.634 27 1033.94 2.588 429 1027.59 2.572 996 1021.12 2.556 380 734.50 1.838 26 715.70 1.791 454 711.79 1.782 723 709.35 1.775 1000 707.03 1.770 658 703.00 1.760 356
in CDCl3
KBr disc
