間苯二酚(108-46-3)質譜(MS)
InChI:InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
InChIKey: GHMLBKRAJCXXBS-UHFFFAOYSA-N
Smiles:C1(O)=CC=CC(O)=C1
-
Mass
MS-NW-0285
resorcinol
C6H6O2 (Mass of molecular ion: 110)
Source Temperature: 160 °C
Sample Temperature: 0 °C
Direct, 75 eV
26.0 1.0
27.0 5.0
28.0 1.0
29.0 1.7
37.0 1.5
38.0 2.7
39.0 8.1
40.0 1.4
41.0 2.0
42.0 2.2
43.0 2.2
50.0 1.8
51.0 2.5
52.0 1.5
53.0 7.2
54.0 3.9
55.0 7.5
62.0 1.4
63.0 4.0
64.0 4.7
65.0 1.3
68.0 2.1
69.0 5.4
71.0 1.7
81.0 11.9
82.0 12.2
92.0 1.0
95.0 1.6
109.0 1.9
110.0 100.0
111.0 6.9
90 MHz in D2O
400 MHz in DMS0-D6
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| 1H NMR |
89.56 MHz |
| C6 H6 O2
|
0.043 g : 0.5 ml D2O
|
| resorcinol
|
 |
Assign. Shift(ppm)
A 7.197
B 6.53
C 6.49
THE SOLVENT SIGNAL REMOVED.
|
Hz ppm Int.
655.19 7.316 27
653.75 7.300 82
651.88 7.279 56
648.38 7.240 29
647.69 7.232 63
644.94 7.202 248
638.31 7.128 114
637.13 7.115 141
634.81 7.089 30
590.63 6.595 360
588.56 6.572 367
588.00 6.566 334
583.13 6.512 193
581.13 6.489 1000
578.50 6.460 76
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| 1H NMR |
399.65 MHz |
| C6 H6 O2
|
0.043 g : 0.5 ml DMSO-d6
|
| resorcinol
|
|
Assign. Shift(ppm)
A 9.15
B 6.929
C 6.22
D 6.21
|
Hz ppm Int.
3657.99 9.153 1000
2777.56 6.950 103
2777.10 6.949 97
2769.32 6.930 187
2761.99 6.912 94
2761.23 6.910 102
2492.22 6.237 85
2491.15 6.234 78
2489.93 6.231 223
2488.40 6.227 253
2486.88 6.223 429
2485.05 6.219 141
2484.13 6.216 96
2478.94 6.203 382
2476.81 6.198 212