2,6-Dinitro-p-cresol(609-93-8) MS
Product Name2,6-Dinitro-p-cresol
CAS609-93-8
Molecular FormulaC7H6N2O5
Molecular Weight198.13
InChIInChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)7(10)6(3-4)9(13)14/h2-3,10H,1H3
InChIKey HOYRZHJJAHRMLL-UHFFFAOYSA-N
SmilesC1(O)=C([N+]([O-])=O)C=C(C)C=C1[N+]([O-])=O
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MassMS-IW-3882 2,6-dinitro-p-cresol C7H6N2O5 (Mass of molecular ion: 198)
Source Temperature: 140 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 1.2 26.0 1.6 27.0 9.0 28.0 4.8 29.0 1.6 30.0 26.1 37.0 2.5 38.0 4.3 39.0 23.0 40.0 4.6 41.0 4.3 43.0 6.6 45.0 1.6 46.0 2.5 49.0 1.0 50.0 13.5 51.0 40.5 52.0 19.6 53.0 21.0 54.0 2.7 55.0 2.0 61.0 1.6 62.0 3.6 63.0 5.6 64.0 4.0 65.0 22.1 66.0 13.0 67.0 1.9 68.0 1.0 69.0 2.0 74.0 3.0 75.0 2.9 76.0 5.5 77.0 26.5 78.0 6.9 79.0 2.9 82.0 5.4 91.0 2.2 93.0 2.3 94.0 3.4 97.0 1.1 104.0 1.1 105.0 8.0 106.0 5.5 107.0 6.0 110.0 2.0 121.0 7.3 122.0 2.3 123.0 4.3 135.0 5.1 140.0 29.7 141.0 2.1 151.0 1.0 168.0 5.7 182.0 2.6 198.0 100.0 199.0 10.7 200.0 1.6
parameter in CDCl3
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1H NMR 300 MHz C7 H6 N2 O5 0.041 g : 0.5 ml CDCl3 2,6-dinitro-p-cresol 
Parameter ppm Hz
D(A) 11.27 D(B) 8.155 D(C) 2.467 J(B,C) 0.7
Hz ppm Int.3380.97 11.270 21 2446.81 8.156 553 2446.24 8.154 553 740.20 2.467 1000
in CDCl3
KBr disc
nujol mull
