特戊酸(75-98-9)質(zhì)譜(MS)
InChI:InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)
InChIKey: IUGYQRQAERSCNH-UHFFFAOYSA-N
Smiles:C(O)(=O)C(C)(C)C
-
Mass
MS-NW-1453
pivalic acid
C5H10O2 (Mass of molecular ion: 102)
Source Temperature: 240 °C
Sample Temperature: 170 °C
Reservoir, 75 eV
15.0 2.0
27.0 8.1
28.0 1.3
29.0 29.3
31.0 1.8
38.0 1.2
39.0 10.0
40.0 1.4
41.0 43.7
42.0 2.5
43.0 3.0
45.0 3.9
55.0 2.6
56.0 6.1
57.0 100.0
58.0 4.5
59.0 5.7
69.0 1.3
87.0 4.8
102.0 1.8
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| 1H NMR |
300 MHz |
| C5 H10 O2
|
0.048 g : 0.5 ml CDCl3
|
| pivalic acid
|
 |
Parameter ppm Hz
D(A) 11.49
D(B) 1.233
|
Hz ppm Int.
369.92 1.233 1000