Isoquinoline-3-carboxylic acid(6624-49-3) MS
Product NameIsoquinoline-3-carboxylic acid
CAS6624-49-3
Molecular FormulaC10H7NO2
Molecular Weight173.17
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MassMS-IW-9207 3-isoquinolinecarboxylic acid C10H7NO2 (Mass of molecular ion: 173)
Source Temperature: 150 °C Sample Temperature: 130 °C Direct, 75 eV
17.0 2.8 18.0 14.3 27.0 1.4 28.0 2.2 37.0 1.2 38.0 1.9 39.0 3.8 45.0 1.4 49.0 1.3 50.0 10.4 50.5 1.3 51.0 15.9 52.0 3.9 61.0 1.7 62.0 3.6 63.0 5.9 64.0 7.2 64.5 4.6 74.0 6.7 75.0 13.6 76.0 9.5 77.0 16.7 78.0 3.6 87.0 1.0 88.0 1.0 89.0 2.3 90.0 1.0 98.0 1.3 99.0 1.8 100.0 3.7 101.0 18.9 102.0 33.1 103.0 5.9 127.0 5.1 128.0 30.4 129.0 100.0 130.0 10.2 173.0 31.0 174.0 4.4
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C10 H7 N O2 0.036 g : 0.5 ml DMSO-d6 3-isoquinolinecarboxylic acid 
Assign. Shift(ppm)
A 9.473 B 8.698 C *1 8.290 D *1 8.242 E 7.932 F 7.889 ASSIGNED BY C-H COSY.
Hz ppm Int.3786.01 9.474 1000 3476.41 8.699 971 3317.72 8.302 330 3316.96 8.300 324 3309.63 8.282 373 3298.03 8.253 345 3289.95 8.233 376 3179.47 7.956 172 3178.10 7.953 198 3172.61 7.939 356 3171.39 7.936 378 3170.17 7.933 211 3164.67 7.919 350 3163.15 7.915 319 3159.79 7.907 343 3158.26 7.903 380 3152.77 7.889 218 3151.55 7.886 378 3150.48 7.884 344 3144.84 7.869 170 3143.46 7.866 158
in DMSO-d6
KBr disc
nujol mull
