1,3-DINITRONAPHTHALENE(606-37-1) IR1
Product Name1,3-DINITRONAPHTHALENE
CAS606-37-1
Molecular FormulaC10H6N2O4
Molecular Weight218.17
InChIInChI=1S/C10H6N2O4/c13-11(14)8-5-7-3-1-2-4-9(7)10(6-8)12(15)16/h1-6H
InChIKey ULALSFRIGPMWRS-UHFFFAOYSA-N
SmilesC1([N+]([O-])=O)=C2C(C=CC=C2)=CC([N+]([O-])=O)=C1
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MassMS-NW-8229 1,3-dinitronaphthalene C10H6N2O4 (Mass of molecular ion: 218)
Source Temperature: 190 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 2.0 28.0 3.7 30.0 13.3 39.0 4.5 43.0 2.8 50.0 9.0 51.0 6.1 52.0 2.9 61.0 1.6 62.0 5.0 63.0 11.5 64.0 2.3 74.0 14.9 75.0 15.2 76.0 20.7 77.0 4.9 86.0 4.5 87.0 8.6 88.0 8.7 89.0 12.6 90.0 1.8 95.0 6.0 98.0 5.9 99.0 8.2 100.0 8.3 101.0 5.4 102.0 15.2 103.0 1.5 104.0 1.1 105.0 2.1 113.0 17.9 114.0 48.7 115.0 6.3 116.0 6.4 117.0 1.0 122.0 1.4 125.0 33.4 126.0 100.0 127.0 14.6 128.0 3.5 129.0 1.8 130.0 9.2 131.0 1.0 140.0 1.3 141.0 12.7 142.0 14.6 143.0 2.4 144.0 4.8 157.0 1.3 158.0 1.2 160.0 7.8 161.0 1.1 171.0 27.3 172.0 24.1 173.0 2.9 188.0 4.0 190.0 7.6 201.0 63.7 202.0 9.0 203.0 1.0 218.0 91.2 219.0 10.8 220.0 1.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H6 N2 O4 0.046 g : 0.5 ml CDCl3 1,3-dinitronaphthalene 
Assign. Shift(ppm)
A 9.036 B 8.926 C 8.60 D 8.19 E *1 7.96 F *1 7.84 J(A,B)=2.2HZ.
Hz ppm Int.813.25 9.081 40 810.81 9.054 392 810.31 9.048 401 808.56 9.029 601 808.00 9.022 582 804.44 8.983 35 803.88 8.976 33 802.75 8.964 47 800.31 8.937 1000 798.06 8.911 702 776.19 8.667 138 775.50 8.660 253 774.06 8.643 294 773.19 8.634 277 768.63 8.583 151 767.06 8.565 228 766.25 8.556 354 765.63 8.549 381 764.81 8.540 233 739.69 8.260 221 739.19 8.254 191 738.56 8.247 203 738.06 8.241 196 737.06 8.230 176 736.56 8.225 164 735.13 8.209 41 732.13 8.175 435 730.13 8.153 394 727.00 8.118 38 726.44 8.112 39 725.94 8.106 42 725.56 8.102 42 725.19 8.098 39 724.31 8.088 60 723.50 8.079 37 723.00 8.073 38 721.63 8.058 189 719.81 8.038 310 717.25 8.009 37 716.06 7.996 47 714.69 7.981 588 712.88 7.960 428 711.38 7.944 199 708.25 7.909 491 707.00 7.895 650 706.06 7.884 620 704.44 7.866 432 701.31 7.831 204 700.50 7.822 291 699.00 7.805 353 693.50 7.744 118 692.06 7.728 96
in CDCl3
KBr disc
nujol mull
