2-Aminoacetophenone hydrochloride(5468-37-1) MS
Product Name2-Aminoacetophenone hydrochloride
CAS5468-37-1
Molecular FormulaC8H10ClNO
Molecular Weight171.62
InChIInChI=1S/C8H9NO.ClH/c9-6-8(10)7-4-2-1-3-5-7;/h1-5H,6,9H2;1H
InChIKey CVXGFPPAIUELDV-UHFFFAOYSA-N
SmilesC(C1=CC=CC=C1)(=O)CN.[H]Cl
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MassMS-NW-7360 2-aminoacetophenone hydrochloride C8H9NO HCl (Mass of molecular ion: 135)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 1.7 27.0 2.0 28.0 7.9 29.0 2.1 30.0 100.0 31.0 1.6 35.0 4.3 36.0 12.2 37.0 1.5 38.0 4.3 39.0 3.3 49.0 1.2 50.0 11.9 51.0 27.6 52.0 2.9 62.0 1.2 63.0 1.7 73.0 1.0 74.0 4.2 75.0 2.4 76.0 3.1 77.0 47.8 78.0 9.3 79.0 2.5 105.0 34.5 106.0 4.9 135.0 7.5
400 MHz in D2O
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1H NMR 399.65 MHz C8 H9 N O 0.048 g : 0.5 ml D2O 2-aminoacetophenone hydrochloride 
Assign. Shift(ppm)
A 8.013 B 7.774 C 7.615 D 4.85
Hz ppm Int.3206.48 8.024 54 3205.26 8.021 63 3200.07 8.008 23 3198.09 8.003 72 3196.87 8.000 61 3107.30 7.776 40 3099.82 7.757 27 3050.08 7.632 51 3048.40 7.628 25 3042.45 7.613 60 3041.84 7.612 67 3034.52 7.593 34 1940.16 4.855 1000
KBr disc
nujol mull
4880 A,200 M,powder
