Martius Yellow(605-69-6) 13C NMR
Product NameMartius Yellow
CAS605-69-6
Molecular FormulaC10H6N2O5
Molecular Weight234.16
InChIInChI=1S/C10H6N2O5/c13-10-7-4-2-1-3-6(7)8(11(14)15)5-9(10)12(16)17/h1-5,13H
InChIKey FFRBMBIXVSCUFS-UHFFFAOYSA-N
SmilesC1(O)=C2C(C=CC=C2)=C([N+]([O-])=O)C=C1[N+]([O-])=O
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MassMS-NW-0348 2,4-dinitro-1-naphthol C10H6N2O5 (Mass of molecular ion: 234)
Source Temperature: 180 °C Sample Temperature: 130 °C Direct, 75 eV
17.0 1.3 18.0 6.5 27.0 1.3 28.0 2.8 30.0 8.6 38.0 1.4 39.0 6.6 41.0 1.7 43.0 1.8 44.0 1.4 50.0 4.9 51.0 6.3 52.0 1.4 53.0 4.8 55.0 1.6 57.0 1.4 61.0 1.9 62.0 6.2 63.0 15.9 64.0 2.8 65.0 1.4 69.0 1.1 74.0 6.0 75.0 10.0 76.0 6.8 77.0 3.3 78.0 1.1 85.0 1.3 86.0 5.9 87.0 8.1 88.0 11.0 89.0 4.6 90.0 1.7 98.0 1.8 99.0 1.2 100.0 1.9 101.0 16.4 102.0 11.2 103.0 4.1 104.0 3.1 105.0 3.2 110.0 1.2 111.0 1.1 112.0 1.4 113.0 33.2 114.0 20.0 115.0 6.4 116.0 1.5 117.0 1.1 118.0 1.2 127.0 2.5 128.0 1.2 129.0 16.7 130.0 6.6 131.0 2.0 132.0 1.2 141.0 24.8 142.0 14.4 143.0 4.1 144.0 1.2 145.0 1.2 146.0 1.2 157.0 18.5 158.0 5.7 159.0 3.9 160.0 1.0 171.0 3.0 172.0 2.3 187.0 22.8 188.0 4.8 189.0 2.5 202.0 1.2 204.0 4.7 206.0 2.5 217.0 19.2 218.0 5.2 234.0 100.0 235.0 11.9 236.0 1.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H6 N2 O5 0.041 g : 0.5 ml CDCl3 2,4-dinitro-1-naphthol 
Assign. Shift(ppm)
A 8.914 B *1 8.67 C *1 8.62 D *2 7.93 E *2 7.77
Hz ppm Int.798.44 8.916 1000 795.75 8.886 51 795.44 8.882 51 782.31 8.736 189 781.63 8.728 250 780.38 8.714 283 778.00 8.687 272 777.31 8.680 240 776.44 8.670 207 775.38 8.658 325 774.06 8.643 325 773.00 8.632 264 772.44 8.625 286 771.75 8.618 352 769.75 8.595 350 769.44 8.592 333 768.13 8.577 382 767.44 8.570 280 719.13 8.030 181 717.56 8.013 217 712.13 7.952 427 710.44 7.933 373 708.94 7.916 154 703.94 7.860 399 702.00 7.839 596 700.31 7.820 346 695.00 7.761 135 693.75 7.747 266 692.44 7.732 249 686.69 7.668 115 685.56 7.655 106
in CDCl3
CCl4 solution
KBr disc
nujol mull
