PROFLAVINE(92-62-6) 13C NMR
Product NamePROFLAVINE
CAS92-62-6
Molecular FormulaC13H11N3
Molecular Weight209.25
InChIInChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2
InChIKey WDVSHHCDHLJJJR-UHFFFAOYSA-N
SmilesC1C2C(=NC3C(C=2)=CC=C(N)C=3)C=C(N)C=1
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MassMS-NW-6291 3,6-diaminoacridine C13H11N3 (Mass of molecular ion: 209)
Source Temperature: 200 °C Sample Temperature: 160 °C Direct, 75 eV
28.0 2.4 39.0 1.4 41.0 1.0 50.0 1.0 51.0 1.6 52.0 2.0 62.0 1.3 63.0 2.4 64.0 1.4 65.0 1.0 74.0 1.0 75.0 1.5 76.0 1.4 77.0 4.4 78.0 1.4 89.0 1.1 90.0 2.2 91.0 6.6 101.0 1.1 104.0 5.4 105.0 1.2 126.0 1.4 127.0 3.7 128.0 2.1 129.0 1.0 140.0 1.4 152.0 1.3 153.0 2.5 154.0 5.7 155.0 3.0 164.0 1.8 165.0 1.9 166.0 1.2 179.0 2.3 180.0 1.4 181.0 17.6 182.0 30.9 183.0 4.5 191.0 1.3 192.0 1.6 206.0 1.2 207.0 2.5 208.0 6.1 209.0 100.0 210.0 15.2 211.0 1.4
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C13 H11 N3 0.037 g : 0.5 ml DMSO-d6 3,6-diaminoacridine 
Assign. Shift(ppm)
A 8.502 B 7.707 C 6.909 D 6.779 E 6.48
Hz ppm Int.3397.95 8.503 622 3085.08 7.720 936 3076.05 7.697 1000 2766.85 6.924 595 2764.89 6.919 627 2757.93 6.901 587 2755.98 6.896 627 2709.84 6.781 939 2709.59 6.780 939 2708.62 6.778 921 2590.70 6.483 268
in DMSO-d6
KBr disc
nujol mull
