DL-NORADRENALINE HYDROCHLORIDE(55-27-6) 13C NMR
Product NameDL-NORADRENALINE HYDROCHLORIDE
CAS55-27-6
Molecular FormulaC8H12ClNO3
Molecular Weight205.64
InChIInChI=1S/C8H11NO3.ClH/c9-4-8(12)5-1-2-6(10)7(11)3-5;/h1-3,8,10-12H,4,9H2;1H
InChIKey FQTFHMSZCSUVEU-UHFFFAOYSA-N
SmilesC1(C(O)CN)C=CC(O)=C(O)C=1.Cl
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MassMS-NW-8325 (+-)-4-(2-amino-1-hydroxyethyl)-1,2-benzenediol hydrochloride C8H11NO3 HCl (Mass of molecular ion: 169)
Source Temperature: 180 °C Sample Temperature: 150 °C Direct, 75 eV
15.0 5.5 27.0 11.1 28.0 55.5 29.0 8.3 30.0 100.0 31.0 8.3 32.0 50.0 39.0 22.2 40.0 2.7 41.0 11.1 42.0 5.5 43.0 19.4 44.0 5.5 45.0 41.6 50.0 5.5 51.0 13.8 52.0 5.5 53.0 8.3 54.0 2.7 55.0 13.8 57.0 8.3 62.0 2.7 63.0 8.3 64.0 5.5 65.0 52.7 66.0 8.3 67.0 8.3 68.0 2.7 69.0 5.5 71.0 5.5 76.0 2.7 77.0 16.6 78.0 13.8 79.0 5.5 80.0 5.5 81.0 8.3 82.0 2.7 83.0 2.7 93.0 77.7 94.0 13.8 95.0 5.5 97.0 2.7 103.0 2.7 104.0 8.3 105.0 5.5 106.0 5.5 107.0 2.7 108.0 2.7 109.0 5.5 110.0 5.5 111.0 22.2 122.0 8.3 123.0 25.0 124.0 13.8 132.0 5.5 134.0 5.5 135.0 2.7 136.0 5.5 137.0 13.8 138.0 13.8 139.0 100.0 140.0 22.2 141.0 2.7 149.0 5.5 150.0 5.5 151.0 47.2 152.0 5.5 169.0 13.8 181.0 2.7
400 MHz in D2O
90 MHz in D2O
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1H NMR 399.65 MHz C8 H11 N O3 0.036 g : 0.5 ml D2O (+-)-4-(2-amino-1-hydroxyethyl)-1,2-benzenediol hydrochloride 
Assign. Shift(ppm)
A 7.003 B 6.98 C 6.913 D 4.93 F *1 3.308 G *1 3.259 J(D,G)=8.7HZ J(D,F)=4.3HZ J(F,G)=-13.1HZ THE SOLVENT SIGNAL REMOVED.
Hz ppm Int.2799.80 7.006 633 2797.73 7.001 748 2796.63 6.998 698 2792.60 6.988 37 2788.33 6.977 1000 2785.03 6.969 29 2767.09 6.924 431 2764.89 6.919 384 2758.42 6.903 250 2756.71 6.898 232 2756.35 6.897 229 1333.74 3.338 185 1329.47 3.327 215 1320.68 3.305 572 1316.41 3.294 536 1310.30 3.279 565 1301.64 3.257 527 1297.24 3.246 193 1288.57 3.225 213
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1H NMR 89.56 MHz C8 H11 N O3 0.048 g : 0.5 ml D2O (+-)-4-(2-amino-1-hydroxyethyl)-1,2-benzenediol hydrochloride Assign. Shift(ppm)
A 7.03 B 6.99 C 6.94 D 4.97 E 4.92 F *1 3.32 G *1 3.27 400MHZ : HSP-42-519
Hz ppm Int.633.56 7.075 29 629.88 7.034 96 628.69 7.020 113 625.31 6.983 175 623.31 6.960 130 621.75 6.943 83 452.00 5.047 50 451.69 5.044 50 448.75 5.011 23 446.13 4.982 68 441.06 4.925 1000 436.63 4.876 44 436.31 4.872 43 434.69 4.854 32 300.06 3.351 194 294.69 3.291 100 292.56 3.267 97
in D2O
KBr disc
nujol mull
