Product Name1,4-DIPHENYLBUTADIYNE
CAS886-66-8
Molecular FormulaC16H10
Molecular Weight202.25
InChIInChI=1S/C16H10/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-6,9-12H
InChIKey HMQFJYLWNWIYKQ-UHFFFAOYSA-N
SmilesC(C1=CC=CC=C1)#CC#CC1=CC=CC=C1
Mass
MS-NW-8912 1,4-diphenylbutadiyne C16H10 (Mass of molecular ion: 202)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 1.3 31.0 2.3 45.0 1.4 63.0 1.0 74.0 1.3 75.0 2.2 76.0 1.3 87.0 1.8 88.0 5.0 98.0 1.7 100.0 2.8 101.0 7.1 101.5 1.2 126.0 2.0 150.0 4.7 151.0 1.6 152.0 1.4 161.0 1.0 162.0 1.3 163.0 1.5 174.0 2.6 175.0 2.5 176.0 3.0 199.0 1.8 200.0 19.8 201.0 10.9 202.0 100.0 203.0 17.2 204.0 1.4
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C16 H10 | 0.037 g : 0.5 ml CDCl3 |
1,4-diphenylbutadiyne |
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Assign. Shift(ppm) |
Hz ppm Int.
3014.28 7.543 82 3011.72 7.536 648 3010.13 7.532 757 3008.67 7.529 313 3008.06 7.527 303 3006.10 7.522 263 3003.91 7.517 734 3002.08 7.512 887 2951.29 7.385 41 2949.71 7.381 96 2948.12 7.377 75 2946.90 7.374 56 2942.63 7.364 285 2941.77 7.361 338 2939.21 7.355 193 2937.38 7.350 426 2935.67 7.346 787 2934.57 7.343 811 2933.96 7.342 1000 2932.37 7.338 450 2929.57 7.331 282 2928.22 7.327 401 2926.76 7.324 750 2925.17 7.320 191 2924.19 7.317 149 2922.12 7.312 144 2920.65 7.309 237 2919.56 7.306 141 2917.85 7.302 193
in CDCl3
KBr disc
nujol mull
1,4-DIPHENYLBUTADIYNE(886-66-8) MS Atlas of Related Products
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