2,5-二羟基苯甲酸(490-79-9)红外图谱(IR2)
InChI:InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
InChIKey: WXTMDXOMEHJXQO-UHFFFAOYSA-N
Smiles:C(O)(=O)C1=CC(O)=CC=C1O
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Mass
MS-NW-0197
2,5-dihydroxybenzoic acid
C7H6O4 (Mass of molecular ion: 154)
Source Temperature: 200 °C
Sample Temperature: 0 °C
Direct, 75 eV
26.0 4.0
27.0 6.0
29.0 2.9
37.0 1.2
38.0 1.5
39.0 2.7
45.0 2.5
49.0 1.0
50.0 4.4
51.0 8.5
52.0 26.6
53.0 15.6
54.0 7.6
55.0 4.0
61.0 1.6
62.0 2.4
63.0 3.2
69.0 2.7
77.0 1.0
79.0 5.5
80.0 28.3
81.0 5.4
82.0 9.7
107.0 3.3
108.0 30.6
109.0 3.6
135.0 3.8
136.0 100.0
137.0 9.8
138.0 1.2
154.0 38.1
155.0 3.1
90 MHz in D2O
90 MHz in DMSO-d6
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| 1H NMR |
89.56 MHz |
| C7 H6 O4
|
0.045 g : 0.5 ml D2O
|
| 2,5-dihydroxybenzoic acid
|
 |
Assign. Shift(ppm)
A 7.19
B 7.00
C 6.82
THE SOLVENT SIGNAL REMOVED.
|
Hz ppm Int.
645.94 7.213 539
643.00 7.180 809
634.63 7.087 421
631.75 7.054 191
625.75 6.987 797
622.75 6.954 654
613.19 6.847 1000
604.31 6.748 417
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| 1H NMR |
89.56 MHz |
| C7 H6 O4
|
0.047 g : 0.5 ml DMSO-d6
|
| 2,5-dihydroxybenzoic acid
|
|
Assign. Shift(ppm)
A 10.6
B 7.209
C 6.988
D 6.829
HSP-04-875 : D2O
|
Hz ppm Int.
647.62 7.232 564
647.11 7.226 598
644.71 7.199 815
644.20 7.193 743
633.61 7.075 395
630.62 7.042 208
627.80 7.010 59
624.80 6.977 851
621.81 6.943 726
618.48 6.906 64
614.29 6.859 1000
613.78 6.854 963
605.49 6.761 377
604.98 6.756 356