Molecular FormulaC15H16N2O3
Molecular Weight272.3
InChI
InChIKey
Smiles
Mass
MS-NW-7981 Fast Blue RR base C15H16N2O3 (Mass of molecular ion: 272)
Source Temperature: 200 °C Sample Temperature: 140 °C Direct, 75 eV
15.0 1.4 18.0 2.8 27.0 1.2 28.0 2.9 30.0 1.2 39.0 2.7 40.0 1.3 41.0 3.7 42.0 3.7 43.0 1.1 44.0 1.0 50.0 2.6 51.0 10.9 52.0 3.2 53.0 1.9 54.0 2.6 65.0 1.7 66.0 2.2 67.0 5.0 68.0 5.9 69.0 1.6 70.0 1.1 76.0 2.0 77.0 47.9 78.0 4.6 79.0 1.0 80.0 2.4 82.0 1.6 92.0 1.5 93.0 1.8 94.0 4.9 95.0 5.4 96.0 1.6 97.0 1.0 105.0 100.0 106.0 8.4 107.0 11.3 108.0 19.0 109.0 3.6 110.0 2.1 121.0 1.2 122.0 4.5 123.0 5.2 124.0 8.3 125.0 4.1 126.0 1.3 136.0 1.9 137.0 3.9 138.0 8.5 139.0 5.5 140.0 2.9 151.0 2.0 152.0 1.6 154.0 4.0 166.0 1.1 167.0 43.9 168.0 5.2 169.0 2.5 179.0 1.1 257.0 25.4 258.0 4.4 271.0 1.8 272.0 89.0 273.0 15.8 274.0 2.0
400 MHz at 55C
1H NMR | 399.65 MHz |
C15 H16 N2 O3 | 0.033 g : 0.5 ml CDCl3 at 60 C |
Fast Blue RR base |
Assign. Shift(ppm) |
Hz ppm Int.
3318.12 8.303 103 3317.63 8.302 103 3317.14 8.301 102 3316.77 8.300 102 3305.79 8.272 32 3305.18 8.271 31 3260.99 8.160 258 3144.90 7.870 286 3144.65 7.869 286 3137.70 7.852 308 3003.91 7.517 52 3003.05 7.515 54 3002.44 7.513 55 2996.83 7.499 137 2994.63 7.494 123 2985.60 7.471 299 2978.27 7.453 297 2972.17 7.437 131 2543.82 6.366 230 1545.90 3.869 1000 1523.93 3.814 964
in CDCl3
KBr disc
nujol mull
CI 37155(6268-05-9) Raman Atlas of Related Products
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