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
Mass
MS-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
1H NMR | 300 MHz |
C7 H6 N2 O5 | 0.041 g : 0.5 ml CDCl3 |
2,6-dinitro-p-cresol |
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Parameter ppm Hz |
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
2,6-Dinitro-p-cresol(609-93-8) 1H NMR Atlas of Related Products
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