DIPHENYLCYCLOPROPENONE(886-38-4) IR2
Product NameDIPHENYLCYCLOPROPENONE
CAS886-38-4
Molecular FormulaC15H10O
Molecular Weight206.24
InChIInChI=1S/C15H10O/c16-15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10H
InChIKey HCIBTBXNLVOFER-UHFFFAOYSA-N
SmilesC1(=O)C(C2=CC=CC=C2)=C1C1=CC=CC=C1
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MassMS-NW-7225 diphenylcyclopropenone C15H10O (Mass of molecular ion: 206)
Source Temperature: 170 °C Sample Temperature: 120 °C Direct, 75 eV
28.0 2.3 39.0 2.1 50.0 1.9 51.0 2.8 52.0 1.0 62.0 1.4 63.0 3.8 74.0 2.6 75.0 3.1 76.0 11.0 76.5 1.2 77.0 1.7 86.0 1.2 87.0 1.8 88.0 3.9 89.0 9.6 89.5 1.3 98.0 1.4 102.0 1.3 126.0 3.5 139.0 2.1 150.0 3.1 151.0 5.8 152.0 6.3 175.0 1.3 176.0 12.5 177.0 7.4 178.0 100.0 179.0 15.4 180.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C15 H10 O 0.041 g : 0.5 ml CDCl3 diphenylcyclopropenone 
Assign. Shift(ppm)
A 7.976 B 7.59 C 7.57
Hz ppm Int.3195.68 7.997 66 3194.82 7.995 55 3192.50 7.989 561 3190.55 7.984 604 3189.09 7.980 182 3187.99 7.977 254 3187.50 7.976 369 3186.40 7.973 318 3185.67 7.972 364 3184.94 7.970 325 3183.59 7.966 317 3182.74 7.964 623 3180.91 7.960 94 3179.93 7.957 60 3177.12 7.950 34 3044.68 7.619 39 3042.85 7.614 45 3038.45 7.603 141 3036.87 7.599 223 3035.89 7.597 236 3033.69 7.591 1000 3031.98 7.587 923 3029.05 7.580 396 3028.32 7.578 395 3027.83 7.577 359 3027.47 7.576 374 3026.61 7.574 509 3026.12 7.572 498 3023.32 7.565 136 3021.85 7.562 203 3019.04 7.555 68 3017.94 7.552 61 3017.21 7.550 82
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
