4-AMINO-5-CHLORO-2-METHOXYBENZOIC ACID(7206-70-4) MS
Product Name4-AMINO-5-CHLORO-2-METHOXYBENZOIC ACID
CAS7206-70-4
Molecular FormulaC8H8ClNO3
Molecular Weight201.61
InChIInChI=1S/C8H8ClNO3/c1-13-7-3-6(10)5(9)2-4(7)8(11)12/h2-3H,10H2,1H3,(H,11,12)
InChIKey RVEATKYEARPWRE-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC(Cl)=C(N)C=C1OC
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MassMS-IW-4178 4-amino-5-chloro-2-methoxybenzoic acid C8H8ClNO3 (Mass of molecular ion: 201)
Source Temperature: 160 °C Sample Temperature: 140 °C Direct, 75 eV
17.0 1.8 18.0 10.0 28.0 3.6 36.0 1.6 38.0 1.3 39.0 2.4 41.0 1.4 44.0 5.7 50.0 1.9 51.0 5.5 52.0 4.5 53.0 2.1 61.0 1.3 62.0 2.5 63.0 4.3 64.0 1.5 65.0 2.6 66.0 1.2 68.0 1.6 73.0 1.5 75.0 1.5 76.0 3.0 77.0 1.9 78.0 9.3 79.0 1.6 80.0 1.2 87.0 1.7 89.0 1.5 90.0 8.2 91.0 1.9 92.0 2.8 93.0 11.0 94.0 2.5 99.0 2.3 112.0 1.7 113.0 6.1 114.0 4.9 115.0 2.5 116.0 1.5 125.0 2.9 126.0 7.5 127.0 4.0 128.0 12.9 129.0 2.3 130.0 5.8 132.0 1.0 140.0 1.5 141.0 11.1 142.0 2.0 143.0 4.7 148.0 2.2 149.0 4.8 154.0 33.8 155.0 11.3 156.0 18.3 157.0 12.1 158.0 5.0 159.0 2.9 166.0 1.4 169.0 5.4 170.0 2.5 171.0 7.2 172.0 21.5 173.0 5.3 174.0 6.7 175.0 1.1 182.0 6.3 183.0 2.3 184.0 61.1 185.0 6.3 186.0 19.7 187.0 2.0 201.0 100.0 202.0 9.8 203.0 33.1 204.0 3.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C8 H8 Cl N O3 0.036 g : 0.5 ml DMSO-d6 4-amino-5-chloro-2-methoxybenzoic acid 
Assign. Shift(ppm)
A 12. B 7.623 C 6.461 D 6.12 E 3.748
Hz ppm Int.3046.61 7.624 469 2582.46 6.462 368 2444.36 6.117 294 1498.12 3.749 1000
in DMSO-d6
KBr disc
nujol mull
