3,5-二羥基甲苯(504-15-4)紅外圖譜(IR1)
InChI:InChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3
InChIKey: OIPPWFOQEKKFEE-UHFFFAOYSA-N
Smiles:C1(O)=CC(C)=CC(O)=C1
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Mass
MS-NW-0291
5-methylresorcinol
C7H8O2 H2O (Mass of molecular ion: 124)
Source Temperature: 150 °C
Sample Temperature: 0 °C
Direct, 75 eV
17.0 1.4
18.0 7.3
27.0 3.3
29.0 1.2
38.0 2.1
39.0 6.4
40.0 1.3
41.0 4.4
43.0 4.5
50.0 2.1
51.0 4.6
52.0 1.9
53.0 2.6
55.0 5.2
62.0 3.1
63.0 1.3
65.0 2.0
66.0 1.8
67.0 5.6
69.0 6.0
77.0 5.0
78.0 4.3
79.0 1.1
81.0 3.4
83.0 1.2
84.0 1.1
85.0 1.8
95.0 11.1
96.0 2.2
105.0 1.8
106.0 3.0
107.0 6.4
123.0 49.5
124.0 100.0
125.0 7.7
90 MHz in D2O
90 MHz in DMSO-d6
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| 1H NMR |
89.56 MHz |
| C7 H8 O2
|
0.038 g : 0.5 ml D2O
|
| 5-methylresorcinol
|
 |
Assign. Shift(ppm)
A 6.36
B 6.28
D 2.242
THE SOLVENT SIGNAL REMOVED.
|
Hz ppm Int.
570.75 6.373 215
570.06 6.366 209
568.81 6.352 393
568.19 6.345 333
564.25 6.301 148
563.69 6.294 155
562.38 6.280 139
561.81 6.274 142
561.19 6.267 102
559.88 6.252 51
559.25 6.245 38
201.00 2.245 1000
198.06 2.212 38
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| 1H NMR |
89.56 MHz |
| C7 H8 O2
|
0.045 g : 0.5 ml DMSO-d6
|
| 5-methylresorcinol
|
|
Assign. Shift(ppm)
A 9.04
B 6.03
C 2.111
HSP-04-857 : D2O
|
Hz ppm Int.
809.44 9.038 733
540.19 6.032 1000
539.56 6.025 993
533.56 5.958 30
533.00 5.952 26
189.38 2.115 938
188.94 2.110 920
183.06 2.044 33
181.63 2.029 24