Pindolol(13523-86-9) Raman
Product NamePindolol
CAS13523-86-9
Molecular FormulaC14H20N2O2
Molecular Weight248.32
InChIInChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
InChIKey JZQKKSLKJUAGIC-UHFFFAOYSA-N
SmilesC(OC1=CC=CC2=C1C=CN2)C(O)CNC(C)C
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MassMS-IW-4296 1-(4-indolyloxy)-3-isopropylamino-2-propanol C14H20N2O2 (Mass of molecular ion: 248)
Source Temperature: 170 °C Sample Temperature: 140 °C Direct, 75 eV
18.0 3.6 27.0 2.5 28.0 4.4 29.0 1.3 30.0 36.2 39.0 2.3 41.0 5.6 42.0 4.0 43.0 8.3 44.0 3.0 50.0 1.2 51.0 2.7 52.0 1.4 55.0 1.0 56.0 17.2 57.0 2.9 58.0 3.2 60.0 2.4 63.0 1.2 66.5 1.6 70.0 3.2 71.0 2.6 72.0 76.3 73.0 3.7 74.0 2.4 76.0 1.3 77.0 4.2 78.0 3.6 79.0 1.3 82.0 1.4 84.0 1.1 89.0 2.8 98.0 5.2 100.0 6.4 102.0 4.1 104.0 11.6 105.0 8.8 114.0 2.3 115.0 1.7 116.0 15.6 116.5 2.1 117.0 3.3 118.0 1.6 130.0 1.0 132.0 6.8 133.0 100.0 134.0 11.0 146.0 2.2 147.0 1.6 158.0 1.1 159.0 2.7 172.0 2.7 175.0 1.0 204.0 8.6 205.0 1.3 230.0 2.8 233.0 2.5 248.0 18.2 249.0 3.5
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C14 H20 N2 O2 0.038 g : 0.5 ml DMSO-d6 1-(4-indolyloxy)-3-isopropylamino-2-propanol 
Assign. Shift(ppm)
A 11.07 B 7.206 C 7.00 D 6.981 E 6.475 F 6.46 G *1 5.03 J *2 4.03 K *2 4.01 L 3.95 M *3 2.766 N 2.728 P *3 2.619 Q *1 1.5 R *4 0.992 S *4 0.987 J(J,K)=-9.6HZ J(L,M)=4.6HZ J(L,P)=6.9HZ J(M,P)=-11.6HZ
Hz ppm Int.4425.35 11.074 100 2882.39 7.213 164 2879.64 7.206 205 2877.20 7.200 161 2802.43 7.013 71 2801.82 7.011 61 2795.10 6.994 316 2793.58 6.991 496 2786.71 6.973 280 2778.63 6.953 96 2592.16 6.487 187 2590.48 6.482 189 2585.30 6.469 178 2583.62 6.465 201 2581.94 6.461 163 2579.80 6.456 190 2577.51 6.450 148 2010.80 5.032 48 1621.09 4.057 41 1615.60 4.043 62 1611.48 4.033 161 1606.29 4.020 326 1601.26 4.007 223 1596.98 3.996 36 1591.64 3.983 85 1588.75 3.976 37 1583.10 3.962 66 1577.45 3.948 76 1572.27 3.935 51 1114.65 2.790 83 1110.08 2.778 87 1102.91 2.760 129 1098.48 2.749 119 1095.28 2.741 131 1089.02 2.725 169 1082.76 2.710 126 1076.66 2.695 51 1055.30 2.641 126 1048.43 2.624 128 1043.70 2.612 96 1036.83 2.595 90 399.63 1.000 1000 397.64 0.995 955 393.37 0.985 958 391.39 0.980 893
in DMSO-d6
KBr disc
nujol mull
