2-Chloro-5-methoxyaniline hydrochloride(85006-21-9) 13C NMR
Product Name2-Chloro-5-methoxyaniline hydrochloride
CAS85006-21-9
Molecular FormulaC7H9Cl2NO
Molecular Weight194.06
InChIInChI=1S/C7H8ClNO.ClH/c1-10-5-2-3-6(8)7(9)4-5;/h2-4H,9H2,1H3;1H
InChIKey NQWBPXKJBZYGHZ-UHFFFAOYSA-N
SmilesNC1=CC(OC)=CC=C1Cl.[H]Cl
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MassMS-KW-0182 6-chloro-m-anisidine hydrochloride C7H8ClNO HCl (Mass of molecular ion: 157)
Source Temperature: 170 °C Sample Temperature: 140 °C Direct, 75 eV
18.0 3.6 28.0 3.2 35.0 2.6 36.0 36.7 37.0 1.6 38.0 13.3 39.0 2.9 41.0 1.7 46.5 1.7 50.0 1.8 51.0 7.1 52.0 5.9 53.0 1.8 61.0 1.6 62.0 2.3 63.0 4.7 64.0 2.1 65.0 4.1 68.0 1.2 73.0 2.1 75.0 1.3 76.0 1.1 77.0 1.3 78.0 6.4 78.5 4.0 79.0 3.7 79.5 1.3 87.0 2.9 89.0 1.4 90.0 4.2 91.0 2.2 92.0 5.1 93.0 12.2 94.0 9.3 95.0 1.3 99.0 1.7 100.0 1.4 106.0 1.0 114.0 22.3 115.0 1.6 116.0 7.4 122.0 2.0 126.0 1.7 127.0 20.2 128.0 21.2 129.0 12.2 130.0 7.2 131.0 2.1 142.0 1.5 156.0 5.7 157.0 100.0 158.0 9.9 159.0 31.8 160.0 2.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H8 Cl N O 0.037 g : 0.5 ml DMSO-d6 6-chloro-m-anisidine hydrochloride 
Assign. Shift(ppm)
A 9.65 B 7.374 C 7.081 D 6.738 E 3.744
Hz ppm Int.3857.73 9.653 83 2951.66 7.386 192 2942.81 7.364 206 2831.42 7.085 147 2828.37 7.078 149 2698.52 6.753 91 2695.62 6.745 87 2689.67 6.731 85 2686.77 6.723 80 1496.43 3.745 1000
in DMSO-d6
KBr disk
Nujol
