BIS(4-NITROPHENYL) CARBONATE(5070-13-3) MS
Product NameBIS(4-NITROPHENYL) CARBONATE
CAS5070-13-3
Molecular FormulaC13H8N2O7
Molecular Weight304.21
InChIInChI=1S/C13H8N2O7/c16-13(21-11-5-1-9(2-6-11)14(17)18)22-12-7-3-10(4-8-12)15(19)20/h1-8H
InChIKey ACBQROXDOHKANW-UHFFFAOYSA-N
SmilesC(OC1=CC=C([N+]([O-])=O)C=C1)(=O)OC1=CC=C([N+]([O-])=O)C=C1
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MassMS-NW-6165 bis(p-nitrophenyl) carbonate C13H8N2O7 (Mass of molecular ion: 304)
Source Temperature: 160 °C Sample Temperature: 160 °C Direct, 75 eV
17.0 2.0 18.0 9.5 26.0 2.3 27.0 4.3 28.0 18.2 29.0 1.2 30.0 14.3 37.0 1.4 38.0 7.8 39.0 8.8 44.0 5.0 50.0 16.6 51.0 4.6 52.0 3.8 53.0 3.7 54.0 1.9 61.0 1.2 62.0 4.1 63.0 18.8 64.0 22.4 65.0 9.6 66.0 1.2 68.0 2.0 74.0 4.1 75.0 31.0 76.0 31.4 77.0 3.9 79.0 1.9 80.0 1.8 81.0 2.6 82.0 1.1 92.0 28.4 93.0 5.8 94.0 1.0 106.0 2.3 107.0 2.6 109.0 6.5 122.0 100.0 123.0 14.7 124.0 1.3 127.0 1.2 128.0 7.1 129.0 1.0 139.0 19.2 140.0 5.5 155.0 1.3 156.0 3.2 166.0 46.0 167.0 7.5 168.0 13.2 169.0 2.1 183.0 1.0 184.0 2.8 214.0 1.3 230.0 8.6 231.0 1.2 260.0 1.1 288.0 1.7 304.0 51.5 305.0 7.7 306.0 1.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C13 H8 N2 O7 0.041 g : 0.5 ml CDCl3 bis(p-nitrophenyl) carbonate 
Assign. Shift(ppm)
A 8.331 B 7.508
Hz ppm Int.754.44 8.424 75 753.31 8.412 26 751.38 8.390 778 749.06 8.364 229 745.69 8.327 26 744.25 8.311 236 741.94 8.285 968 738.88 8.251 110 679.81 7.591 105 678.63 7.578 32 676.69 7.556 1000 674.38 7.530 254 672.00 7.504 29 669.63 7.477 215 667.31 7.451 786 664.25 7.417 75
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
