Product Name5-Aminoisoquinoline
CAS1125-60-6
Molecular FormulaC9H8N2
Molecular Weight144.17
InChIInChI=1S/C9H8N2/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-6H,10H2
InChIKey DTVYNUOOZIKEEX-UHFFFAOYSA-N
SmilesC1C2=C(C(N)=CC=C2)C=CN=1
Mass
MS-NW-6175 5-aminoisoquinoline C9H8N2 (Mass of molecular ion: 144)
Source Temperature: 240 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 1.2 28.0 1.1 38.0 1.7 39.0 3.7 41.0 1.2 50.0 1.6 51.0 2.2 52.0 2.1 58.5 4.2 61.0 1.1 62.0 2.8 63.0 5.6 64.0 2.1 65.0 1.5 72.0 5.1 74.0 1.2 75.0 1.4 76.0 1.2 77.0 1.0 78.0 1.0 87.0 1.2 88.0 1.7 89.0 9.7 90.0 7.4 91.0 2.0 115.0 1.8 116.0 11.1 117.0 16.1 118.0 4.0 142.0 2.8 143.0 13.7 144.0 100.0 145.0 11.1 146.0 1.5
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C9 H8 N2 | 0.035 g : 0.5 ml CDCl3 |
5-aminoisoquinoline |
Assign. Shift(ppm) |
Hz ppm Int.
3666.38 9.174 572 3665.53 9.172 571 3387.33 8.476 493 3381.35 8.461 514 3028.56 7.579 301 3022.58 7.564 294 2962.16 7.412 55 2953.98 7.392 524 2952.39 7.388 352 2948.73 7.379 1000 2944.09 7.367 50 2943.60 7.366 49 2778.20 6.952 39 2773.32 6.940 287 2769.90 6.931 248 2768.19 6.927 190 2764.77 6.918 269 2759.89 6.906 27 1728.15 4.325 102
in CDCl3
KBr disc
nujol mull
5-Aminoisoquinoline(1125-60-6) IR2 Atlas of Related Products
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