异喹啉羧酸(486-73-7)核磁图(13CNMR)
InChI:InChI=1S/C10H7NO2/c12-10(13)9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H,12,13)
InChIKey: XAAKCCMYRKZRAK-UHFFFAOYSA-N
Smiles:C1(C(O)=O)C2=C(C=CC=C2)C=CN=1
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![图谱](https://www.chemicalbook.com/Spectrum/486-73-7_MS.gif)
Mass
MS-IW-0696
1-isoquinolinecarboxylic acid
C10H7NO2 (Mass of molecular ion: 173)
Source Temperature: 170 °C
Sample Temperature: 130 °C
Direct, 75 eV
18.0 3.8
28.0 1.2
39.0 1.8
44.0 6.4
50.0 5.9
51.0 11.2
52.0 2.1
58.5 2.6
62.0 1.7
63.0 3.1
64.0 5.0
64.5 2.9
74.0 4.3
75.0 11.1
76.0 8.1
77.0 8.8
78.0 2.9
89.0 1.8
99.0 1.3
100.0 2.7
101.0 19.3
102.0 26.4
103.0 6.9
127.0 3.8
128.0 30.0
129.0 100.0
130.0 10.3
173.0 49.3
174.0 7.4
in DMSO-d6
400 MHz in DMSO-d6