萘啶酸(389-08-2)核磁圖(1HNMR)
分子式:C12H12N2O3
分子量: 232.24
InChI:InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)
InChIKey: MHWLWQUZZRMNGJ-UHFFFAOYSA-N
Smiles:N1(CC)C2C(=CC=C(C)N=2)C(=O)C(C(O)=O)=C1
-
Mass
MS-NW-6855
1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
C12H12N2O3 (Mass of molecular ion: 232)
Source Temperature: 210 °C
Sample Temperature: 160 °C
Direct, 75 eV
18.0 1.9
27.0 4.4
28.0 2.4
29.0 2.6
38.0 1.3
39.0 4.0
40.0 1.0
41.0 1.0
42.0 1.7
44.0 1.8
50.0 1.3
51.0 3.0
52.0 3.2
53.0 5.6
62.0 1.5
63.0 4.2
64.0 3.4
65.0 4.0
66.0 1.5
75.0 1.1
76.0 2.6
77.0 4.7
78.0 2.5
79.0 1.4
80.0 1.1
89.0 2.4
90.0 2.0
91.0 2.4
92.0 4.8
93.0 2.7
102.0 1.4
103.0 1.6
104.0 6.0
105.0 2.2
107.0 1.1
116.0 1.5
117.0 2.3
118.0 1.4
119.0 1.3
120.0 1.4
129.0 1.2
130.0 1.2
131.0 7.0
132.0 13.0
133.0 2.0
145.0 7.3
146.0 1.1
159.0 7.2
160.0 22.4
161.0 3.2
173.0 9.4
174.0 1.2
187.0 6.7
188.0 100.0
189.0 13.4
190.0 1.1
232.0 6.8
233.0 1.0
90 MHz in DMSO-d6
400 MHz in DMSO-d6
-
| 1H NMR |
89.56 MHz |
| C12 H12 N2 O3
|
0.035 g : 0.5 ml DMSO-d6
|
| 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
|
 |
Assign. Shift(ppm)
A 14.87
B 9.174
C 8.602
D 7.597
E 4.64
F 2.712
G 1.425
J(C,D)=8.2HZ.
|
Hz ppm Int.
1331.62 14.869 117
821.68 9.175 328
774.86 8.652 125
766.72 8.561 150
684.28 7.641 161
675.92 7.548 133
419.69 4.687 172
412.55 4.607 185
242.93 2.713 1000
134.55 1.503 219
127.51 1.424 494
120.48 1.346 195
-
| 1H NMR |
399.65 MHz |
| C12 H12 N2 O3
|
saturated in DMSO-d6
|
| 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
|
|
Assign. Shift(ppm)
A 14.9
B 9.196
C 8.620
D 7.611
E 4.650
F 2.718
G 1.423
|
Hz ppm Int.
5968.99 14.936 31
5965.57 14.927 57
5964.84 14.926 60
5964.11 14.924 59
3675.29 9.197 328
3449.46 8.632 157
3441.41 8.612 167
3045.90 7.622 156
3037.84 7.602 150
1869.38 4.678 59
1862.06 4.660 190
1854.98 4.642 193
1847.90 4.624 60
1086.43 2.719 1000
575.93 1.442 214
573.24 1.435 37
568.85 1.424 471
565.67 1.416 34
565.19 1.415 32
561.77 1.406 212