METHYL 2-AMINO-5-BROMOBENZOATE(52727-57-8) IR2
Product NameMETHYL 2-AMINO-5-BROMOBENZOATE
CAS52727-57-8
Molecular FormulaC8H8BrNO2
Molecular Weight230.06
InChIInChI=1S/C8H8BrNO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,10H2,1H3
InChIKey QVNYNHCNNGKULA-UHFFFAOYSA-N
SmilesC(OC)(=O)C1=CC(Br)=CC=C1N
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MassMS-KW-0271 methyl 5-bromoanthranilate C8H8BrNO2 (Mass of molecular ion: 229)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 3.9 28.0 3.3 29.0 2.0 31.0 1.7 37.0 2.7 38.0 5.2 39.0 5.5 40.0 1.9 41.0 5.7 44.0 1.7 44.5 2.5 45.0 1.5 45.5 9.4 50.0 2.3 51.0 2.6 52.0 13.0 53.0 2.4 59.0 1.4 61.0 3.7 62.0 8.9 63.0 28.1 64.0 11.5 65.0 6.9 66.0 1.2 74.0 2.2 75.0 2.8 77.0 1.4 78.0 1.6 79.0 1.7 80.0 1.3 82.0 1.2 85.0 3.8 86.0 3.8 88.0 1.7 89.0 3.8 90.0 27.6 91.0 20.9 92.0 3.4 99.0 2.5 100.0 2.5 107.0 2.1 114.0 2.6 115.0 2.6 117.0 2.5 118.0 1.2 119.0 1.7 135.0 3.1 142.0 2.1 143.0 7.8 144.0 2.5 145.0 7.3 168.0 1.7 169.0 21.3 170.0 29.2 171.0 23.3 172.0 26.9 173.0 2.8 197.0 100.0 198.0 26.0 199.0 98.9 200.0 25.5 201.0 2.1 229.0 80.5 230.0 8.1 231.0 79.3 232.0 7.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C8H8BrNO2 0.039 g : 0.5 ml CDCl3 methyl 5-bromoanthranilate 
Assign. Shift(ppm)
A 7.955 B 7.311 C 6.547 D 5.7 E 3.861
Hz ppm Int.3181.52 7.959 165 3179.08 7.953 167 2928.35 7.325 92 2925.91 7.319 88 2919.56 7.303 96 2917.12 7.297 92 2621.83 6.559 156 2613.04 6.537 149 2280.64 5.705 8 1616.34 4.044 6 1543.71 3.862 1000 1469.12 3.675 5
in CDCl3
KBr disk
Nujol
