HARMOL HYDROCHLORIDE(40580-83-4) IR1
Product NameHARMOL HYDROCHLORIDE
CAS40580-83-4
Molecular FormulaC12H11ClN2O
Molecular Weight234.68
InChIInChI=1S/C12H10N2O.ClH/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12;/h2-6,14-15H,1H3;1H
InChIKey IBINNLDPMFWTTI-UHFFFAOYSA-N
SmilesC12C=CC(O)=CC=1NC1=C(C)N=CC=C21.Cl
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MassMS-NW-6605 1-methyl-beta-carbolin-7-ol hydrochloride C12H10N2O HCl H2O (Mass of molecular ion: 198)
Source Temperature: 220 °C Sample Temperature: 170 °C Direct, 75 eV
18.0 2.6 28.0 1.2 35.0 1.4 36.0 9.3 38.0 3.2 39.0 1.3 50.0 1.2 51.0 2.2 52.0 1.1 62.0 1.4 63.0 2.5 70.5 1.4 74.0 1.5 75.0 2.4 76.0 1.5 77.0 1.5 84.5 1.5 85.0 1.9 89.0 1.7 99.0 6.7 99.5 1.0 100.0 1.0 101.0 1.6 102.0 1.5 114.0 1.0 115.0 2.9 116.0 1.2 127.0 1.2 128.0 1.4 140.0 1.5 141.0 1.3 142.0 1.5 143.0 1.0 144.0 1.2 152.0 1.0 154.0 1.2 156.0 1.3 168.0 1.2 169.0 6.5 170.0 9.9 171.0 4.7 196.0 1.1 197.0 19.8 198.0 100.0 199.0 14.1 200.0 1.2
90 MHz in DMSO-d6
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1H NMR 89.56 MHz C12 H10 N2 O 0.038 g : 0.5 ml DMSO-d6 1-methyl-beta-carbolin-7-ol hydrochloride 
Assign. Shift(ppm)
A *1 12.81 B *1 10.65 C 8.33 D 8.30 E 8.21 F 7.14 G 6.94 J 3.024 K 4.1 J(E,G)=8.6 HZ. J(F,G)=2.0 HZ. J(C,D)=6.4 HZ.
Hz ppm Int.1147.65 12.815 161 751.51 8.392 39 745.09 8.320 386 744.00 8.308 423 739.69 8.260 170 737.58 8.236 54 730.99 8.163 186 639.92 7.146 168 638.36 7.128 223 626.27 6.993 142 624.35 6.972 107 617.66 6.897 117 615.55 6.874 103 270.81 3.024 1000
in DMSO-d6
KBr disc
nujol mull
