Promethazine hydrochloride (58-33-3) 1H NMR
Product NamePromethazine hydrochloride
CAS58-33-3
Molecular FormulaC17H21ClN2S
Molecular Weight320.88
InChIInChI=1S/C17H20N2S.ClH/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;/h4-11,13H,12H2,1-3H3;1H
InChIKey XXPDBLUZJRXNNZ-UHFFFAOYSA-N
SmilesN1(CC(C)N(C)C)C2C=CC=CC=2SC2=CC=CC=C12.Cl
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MassMS-IW-3280 10-(2-(dimethylamino)propyl)phenothiazine hydrochloride C17H20N2S HCl (Mass of molecular ion: 284)
Source Temperature: 150 °C Sample Temperature: 100 °C Direct, 75 eV
36.0 3.0 38.0 1.0 42.0 1.4 44.0 1.7 56.0 1.2 70.0 1.3 71.0 1.0 72.0 100.0 73.0 5.6 180.0 2.3 198.0 3.1 212.0 1.2 213.0 3.5 284.0 8.2 285.0 1.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C17 H20 N2 S 0.042 g : 0.5 ml CDCl3 10-(2-(dimethylamino)propyl)phenothiazine hydrochloride 
Assign. Shift(ppm)
A 12.6 B 7.23 C 7.21 D 7.095 E 7.001 F *1 4.720 G *1 3.934 J 3.705 K 2.779 L 1.495 J(F,G)=14.1HZ J(F,J)=5.7HZ J(G,J)=7.3HZ
Hz ppm Int.2901.17 7.260 205 2899.71 7.256 268 2893.85 7.241 305 2893.11 7.240 362 2892.38 7.238 424 2891.65 7.236 447 2886.70 7.224 589 2885.60 7.221 618 2884.32 7.218 509 2879.01 7.204 679 2877.73 7.201 479 2839.45 7.105 456 2838.71 7.103 486 2831.39 7.085 377 2830.66 7.083 370 2805.74 7.021 370 2804.65 7.018 361 2801.53 7.010 32 2800.98 7.009 34 2798.23 7.002 533 2797.32 7.000 493 2792.56 6.988 30 2790.72 6.983 290 2789.63 6.981 268 1896.87 4.747 115 1891.19 4.733 124 1882.77 4.712 129 1877.09 4.697 131 1583.29 3.962 126 1575.96 3.944 150 1569.19 3.927 121 1561.86 3.909 141 1490.43 3.730 71 1483.65 3.713 116 1477.79 3.698 114 1471.01 3.681 66 1110.72 2.780 800 601.15 1.505 1000 594.38 1.488 987
in CDCl3
KBr disc
nujol mull
