p-Nitrobenzal diacetate(2929-91-1) IR1
Product Namep-Nitrobenzal diacetate
CAS2929-91-1
Molecular FormulaC11H11NO6
Molecular Weight253.21
InChIInChI=1S/C11H11NO6/c1-7(13)17-11(18-8(2)14)9-3-5-10(6-4-9)12(15)16/h3-6,11H,1-2H3
InChIKey WGESNIARHZFDHQ-UHFFFAOYSA-N
SmilesC(OC(=O)C)(OC(=O)C)C1=CC=C([N+]([O-])=O)C=C1
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MassMS-NW-6337 p-nitrobenzylidene diacetate C11H11NO6 (Mass of molecular ion: 253)
Source Temperature: 160 °C Sample Temperature: 110 °C Direct, 75 eV
15.0 3.2 18.0 2.8 28.0 1.2 39.0 1.0 42.0 1.9 43.0 100.0 44.0 2.4 50.0 2.6 51.0 4.7 75.0 1.1 76.0 2.3 77.0 4.6 92.0 1.0 103.0 3.5 104.0 2.5 105.0 2.9 106.0 1.0 134.0 2.1 150.0 10.1 151.0 13.4 152.0 2.0 194.0 2.3 210.0 2.6 211.0 1.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C11 H11 N O6 0.041 g : 0.5 ml CDCl3 p-nitrobenzylidene diacetate 
Assign. Shift(ppm)
A 8.26 B 7.74 C 7.72 D 2.162
Hz ppm Int.744.88 8.318 77 742.81 8.294 36 738.00 8.241 28 735.88 8.217 98 694.13 7.751 126 693.25 7.741 131 685.56 7.655 68 193.56 2.162 1000
in CDCl3
KBr disc
nujol mull
