1,3-Dithiolane, 2,2-diphenyl-(6317-10-8) MS
Product Name1,3-Dithiolane, 2,2-diphenyl-
CAS6317-10-8
Molecular FormulaC15H14S2
Molecular Weight258.4
InChIInChI=1S/C15H14S2/c1-3-7-13(8-4-1)15(16-11-12-17-15)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey NPCVWOFQCBKKNO-UHFFFAOYSA-N
SmilesS1CCSC1(C1=CC=CC=C1)C1=CC=CC=C1
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MassMS-NW-7832 2,2-diphenyl-1,3-dithiolane C15H14S2 (Mass of molecular ion: 258)
Source Temperature: 150 °C Sample Temperature: 100 °C Direct, 75 eV
26.0 1.0 27.0 3.8 28.0 1.0 39.0 5.4 45.0 7.6 46.0 1.3 50.0 3.6 51.0 12.5 52.0 1.4 58.0 2.0 59.0 3.8 60.0 3.2 61.0 1.5 62.0 2.6 63.0 6.3 65.0 1.7 69.0 5.1 74.0 2.7 75.0 2.9 76.0 2.7 77.0 32.7 78.0 2.7 82.0 1.2 86.0 1.7 87.0 2.5 88.0 1.5 89.0 3.3 91.0 1.8 93.0 1.8 98.0 1.2 102.0 1.3 103.0 1.1 105.0 4.8 113.0 2.0 114.0 1.4 115.0 4.6 121.0 80.8 122.0 7.1 123.0 4.3 126.0 1.9 127.0 1.4 134.0 1.0 135.0 1.1 139.0 5.9 150.0 1.0 151.0 2.1 152.0 6.8 153.0 6.6 154.0 1.4 163.0 5.9 164.0 6.6 165.0 89.7 166.0 14.7 167.0 1.8 171.0 1.3 178.0 5.6 179.0 1.6 181.0 15.2 182.0 3.9 183.0 1.9 184.0 1.1 191.0 1.3 192.0 1.0 195.0 2.1 196.0 2.1 197.0 19.2 198.0 31.5 199.0 5.6 200.0 2.0 211.0 4.6 228.0 1.2 229.0 100.0 230.0 90.7 231.0 22.3 232.0 9.4 233.0 1.5 258.0 56.4 259.0 10.6 260.0 6.2 261.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C15 H14 S2 0.027 g : 0.5 ml CDCl3 2,2-diphenyl-1,3-dithiolane 
Assign. Shift(ppm)
A 7.60 B 7.272 C 7.219 D 3.396
Hz ppm Int.3044.31 7.618 150 3042.85 7.614 237 3040.77 7.609 60 3037.48 7.601 103 3035.77 7.597 191 3035.28 7.595 166 3034.79 7.594 177 2916.14 7.297 33 2915.28 7.295 61 2914.06 7.292 103 2912.11 7.287 47 2909.55 7.281 41 2908.57 7.278 54 2906.98 7.274 232 2905.40 7.270 112 2900.88 7.259 79 2899.29 7.255 157 2890.87 7.234 68 2889.40 7.230 191 2888.18 7.227 73 2884.64 7.218 42 2882.45 7.213 119 2875.00 7.194 37 1357.06 3.396 1000
in CDCl3
KBr disc
nujol mull
