9-NITROANTHRACENE(602-60-8) 1H NMR
Product Name9-NITROANTHRACENE
CAS602-60-8
Molecular FormulaC14H9NO2
Molecular Weight223.23
InChIInChI=1S/C14H9NO2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H
InChIKey LSIKFJXEYJIZNB-UHFFFAOYSA-N
SmilesC1=C2C(C=C3C(=C2[N+]([O-])=O)C=CC=C3)=CC=C1
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MassMS-NW-7167 9-nitroanthracene C14H9NO2 (Mass of molecular ion: 223)
Source Temperature: 190 °C Sample Temperature: 110 °C Direct, 75 eV
18.0 2.7 28.0 1.2 30.0 1.9 39.0 2.6 50.0 3.2 51.0 3.6 61.0 1.1 62.0 3.9 63.0 5.4 69.5 2.5 74.0 5.8 75.0 12.8 75.5 2.5 76.0 4.2 77.0 2.1 81.5 2.1 82.0 2.1 82.5 6.4 83.0 1.1 83.5 1.9 86.0 2.9 87.0 7.5 87.5 3.1 88.0 34.4 88.5 9.8 89.0 3.0 89.5 1.4 98.0 4.1 99.0 3.0 100.0 1.5 101.0 1.3 110.0 1.4 111.0 1.6 111.5 3.5 112.0 1.0 113.0 1.2 115.0 2.0 122.0 1.2 123.0 1.2 125.0 1.6 126.0 3.2 127.0 1.6 137.0 1.1 139.0 3.8 140.0 2.1 149.0 2.7 150.0 13.7 151.0 22.7 152.0 5.5 153.0 2.1 162.0 1.0 163.0 7.7 164.0 7.8 165.0 47.5 166.0 11.1 167.0 14.6 168.0 2.8 174.0 6.3 175.0 9.4 176.0 62.3 177.0 58.4 178.0 15.1 179.0 5.7 180.0 1.8 181.0 1.0 190.0 1.7 193.0 39.8 194.0 8.8 195.0 8.9 196.0 1.3 206.0 2.2 207.0 2.5 208.0 1.2 222.0 2.6 223.0 100.0 224.0 16.1 225.0 1.8 257.0 1.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C14 H9 N O2 0.035 g : 0.5 ml CDCl3 9-nitroanthracene 
Assign. Shift(ppm)
A 8.494 B 7.968 C 7.896 D 7.587 E 7.488 J(B,D)=8.5HZ J(C,E)=8.8HZ
Hz ppm Int.3394.78 8.495 883 3387.45 8.477 51 3189.09 7.980 879 3180.54 7.959 976 3171.88 7.937 53 3169.56 7.931 47 3168.82 7.929 47 3167.24 7.926 55 3160.28 7.908 866 3151.49 7.886 1000 3143.31 7.866 52 3140.63 7.859 38 3140.01 7.857 37 3138.43 7.853 34 3138.06 7.853 33 3133.18 7.840 30 3040.16 7.608 498 3033.20 7.590 744 3024.66 7.569 575 3017.09 7.550 41 3016.24 7.548 37 3015.38 7.546 35 3014.40 7.543 34 3014.04 7.542 33 3013.67 7.541 32 3012.57 7.539 31 3012.33 7.538 31 3011.72 7.536 31 3011.11 7.535 31 3010.86 7.534 31 3010.13 7.532 30 3009.16 7.530 32 3008.18 7.528 34 3007.81 7.527 35 2999.63 7.506 652 2991.94 7.487 774 2984.50 7.468 456 2977.17 7.450 30
in CDCl3
KBr disc
nujol mull
