DL-M-O-METHYLEPINEPHRINE HYDROCHLORIDE(881-95-8) MS
Product NameDL-M-O-METHYLEPINEPHRINE HYDROCHLORIDE
CAS881-95-8
Molecular FormulaC10H16ClNO3
Molecular Weight233.69
InChIInChI=1S/C10H15NO3.ClH/c1-11-6-9(13)7-3-4-8(12)10(5-7)14-2;/h3-5,9,11-13H,6H2,1-2H3;1H
InChIKey HRIQFVCFOPJYEQ-UHFFFAOYSA-N
SmilesC1(=CC=C(O)C(OC)=C1)C(O)CNC.Cl
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MassMS-NW-6966 (+-)-4-hydroxy-3-methoxy-alpha-(methylaminomethyl)benzyl alcohol hydrochloride C10H15NO3 HCl (Mass of molecular ion: 197)
Source Temperature: 210 °C Sample Temperature: 130 °C Direct, 75 eV
15.0 1.1 18.0 2.7 27.0 1.2 28.0 1.9 30.0 1.9 35.0 1.4 36.0 7.9 38.0 2.8 39.0 2.6 42.0 4.7 43.0 1.7 44.0 100.0 45.0 7.2 46.0 13.0 51.0 1.8 52.0 1.4 53.0 1.8 55.0 1.3 63.0 1.0 65.0 6.8 66.0 1.1 77.0 1.7 81.0 2.4 82.0 2.1 93.0 12.2 94.0 1.9 109.0 1.2 110.0 2.0 122.0 1.1 123.0 2.2 125.0 3.5 137.0 1.7 138.0 4.3 151.0 2.9 152.0 4.4 153.0 9.2 154.0 4.9 179.0 2.6 197.0 3.9
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C10 H15 N O3 0.038 g : 0.5 ml DMSO-d6 (+-)-4-hydroxy-3-methoxy-alpha-(methylaminomethyl)benzyl alcohol hydrochloride 
Assign. Shift(ppm)
A 9.08 B 9. C 6.957 D 6.809 E 6.773 F 6.04 G 4.870 J 3.770 K *1 3.031 L *1 2.977 M 2.559
Hz ppm Int.3632.81 9.090 89 2781.37 6.960 161 2779.54 6.955 165 2727.36 6.825 109 2719.27 6.805 269 2710.27 6.782 128 2708.44 6.778 121 2702.03 6.761 52 2700.35 6.757 52 2414.86 6.043 90 2410.74 6.033 90 1950.68 4.881 47 1946.72 4.872 37 1944.89 4.867 40 1940.92 4.857 49 1506.65 3.770 1000 1218.57 3.050 31 1209.41 3.027 70 1206.36 3.019 66 1198.58 3.000 69 1188.81 2.975 64 1186.37 2.969 39 1022.95 2.560 703
in DMSO-d6
KBr disc
nujol mull
