5-BENZYLOXYGRAMINE(1453-97-0) MS
Product Name5-BENZYLOXYGRAMINE
CAS1453-97-0
Molecular FormulaC18H20N2O
Molecular Weight280.36
InChIInChI=1S/C18H20N2O/c1-20(2)12-15-11-19-18-9-8-16(10-17(15)18)21-13-14-6-4-3-5-7-14/h3-11,19H,12-13H2,1-2H3
InChIKey POTVAILTNPOQJH-UHFFFAOYSA-N
SmilesN1C2=C(C=C(OCC3=CC=CC=C3)C=C2)C(CN(C)C)=C1
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MassMS-NW-7128 5-benzyloxy-3-(dimethylaminomethyl)indole C18H20N2O (Mass of molecular ion: 280)
Source Temperature: 210 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 1.6 28.0 3.3 39.0 3.6 41.0 1.1 42.0 2.3 43.0 1.3 44.0 10.5 45.0 5.8 51.0 1.5 58.0 2.6 62.0 1.3 63.0 3.3 65.0 9.5 89.0 5.1 90.0 1.7 91.0 100.0 92.0 7.7 116.0 1.6 117.0 3.7 118.0 3.5 145.0 6.0 146.0 12.5 147.0 1.6 235.0 10.5 236.0 9.0 237.0 2.1 280.0 2.3 281.0 1.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C18 H20 N2 O 0.038 g : 0.5 ml DMSO-d6 5-benzyloxy-3-(dimethylaminomethyl)indole 
Assign. Shift(ppm)
A 10.8 B 7.470 C 7.375 D 7.309 E 7.254 F 7.185 G 7.162 J 6.813 K 5.067 L 3.485 M 2.130
Hz ppm Int.4309.72 10.784 66 4308.81 10.782 67 4308.26 10.781 65 2989.83 7.482 113 2982.50 7.463 165 2955.21 7.395 81 2948.06 7.377 164 2940.55 7.358 96 2926.45 7.323 64 2919.31 7.305 74 2903.92 7.267 109 2895.13 7.245 121 2872.78 7.189 114 2870.77 7.184 116 2863.63 7.166 111 2861.43 7.160 107 2728.45 6.828 68 2726.07 6.822 65 2719.66 6.806 62 2717.27 6.800 60 2025.09 5.068 326 1392.98 3.486 293 851.36 2.131 1000
DMSO-d6
KBr disc
nujol mull
