2,5-DINITROPHENOL(329-71-5) 1H NMR
Product Name2,5-DINITROPHENOL
CAS329-71-5
Molecular FormulaC6H4N2O5
Molecular Weight184.11
InChIInChI=1S/C6H4N2O5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H
InChIKey UWEZBKLLMKVIPI-UHFFFAOYSA-N
SmilesC1(O)=CC([N+]([O-])=O)=CC=C1[N+]([O-])=O
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MassMS-NW-8245 2,5-dinitrophenol C6H4N2O5 (Mass of molecular ion: 184)
Source Temperature: 140 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 1.3 26.0 1.6 27.0 1.0 28.0 4.5 29.0 2.5 30.0 50.0 37.0 3.6 38.0 10.2 39.0 23.4 40.0 2.2 42.0 1.0 44.0 1.8 45.0 5.2 46.0 1.4 50.0 6.6 51.0 17.4 52.0 7.8 53.0 27.0 54.0 1.9 55.0 1.8 61.0 3.7 62.0 12.9 63.0 31.6 64.0 12.8 65.0 1.7 66.0 2.4 67.0 1.4 68.0 2.1 69.0 1.6 74.0 1.3 75.0 1.1 76.0 1.8 77.0 4.6 79.0 4.2 80.0 2.8 91.0 6.1 92.0 4.3 93.0 4.5 96.0 1.6 108.0 1.6 138.0 1.9 154.0 1.5 168.0 1.1 184.0 100.0 185.0 8.5 186.0 1.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H4 N2 O5 0.045 g : 0.5 ml CDCl3 2,5-dinitrophenol 
Assign. Shift(ppm)
A 10.61 B 8.331 C 8.032 D 7.833 J(B,C)=0.4HZ J(B,D)=9.2HZ J(C,D)=2.4HZ
Hz ppm Int.950.06 10.609 1000 751.94 8.396 389 751.56 8.392 395 742.75 8.294 574 742.38 8.290 590 720.69 8.048 456 718.63 8.025 604 714.50 7.978 62 706.44 7.888 519 704.00 7.861 401 697.25 7.786 351 694.81 7.759 294
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
