3-Aminobenzylamine(4403-70-7) MS
Product Name3-Aminobenzylamine
CAS4403-70-7
Molecular FormulaC7H10N2
Molecular Weight122.17
InChIInChI=1S/C7H10N2/c8-5-6-2-1-3-7(9)4-6/h1-4H,5,8-9H2
InChIKey ZDBWYUOUYNQZBM-UHFFFAOYSA-N
SmilesC1(CN)=CC=CC(N)=C1
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MassMS-KW-0085 3-aminobenzylamine C7H10N2 (Mass of molecular ion: 122)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
17.0 2.4 18.0 10.3 27.0 2.6 28.0 12.1 29.0 2.3 30.0 23.1 31.0 2.2 37.0 1.1 38.0 3.2 39.0 11.0 40.0 2.4 41.0 5.2 42.0 2.4 43.0 1.2 45.0 1.4 46.5 1.0 50.0 2.7 51.0 6.6 52.0 5.7 53.0 3.2 54.0 3.3 59.0 1.0 59.5 1.5 60.0 4.3 60.5 5.6 61.0 3.4 62.0 1.9 63.0 4.8 64.0 3.5 65.0 16.9 66.0 14.3 67.0 4.8 75.0 1.5 76.0 3.6 77.0 31.3 78.0 9.8 79.0 7.9 80.0 2.7 90.0 1.3 91.0 4.2 92.0 10.5 93.0 37.8 94.0 68.3 95.0 5.2 104.0 18.9 105.0 17.0 106.0 40.6 107.0 5.8 118.0 8.7 119.0 5.0 120.0 4.5 121.0 100.0 122.0 98.8 123.0 9.0 136.0 2.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H10 N2 0.05 ml : 0.5 ml CDCl3 3-aminobenzylamine 
Assign. Shift(ppm)
A 7.084 B 6.642 C 6.576 D 6.521 E 3.75 F 2.7
Hz ppm Int.2839.23 7.105 516 2831.54 7.086 1000 2823.73 7.066 587 2658.33 6.652 637 2650.76 6.633 610 2628.30 6.577 906 2610.47 6.532 585 2608.76 6.528 548 2602.66 6.513 516 2600.95 6.509 460 1498.17 3.749 406 1095.83 2.742 65
