2-氯正丁酸(1951-12-8)核磁图(13CNMR)
InChI:InChI=1S/C4H7ClO2/c1-3(5)2-4(6)7/h3H,2H2,1H3,(H,6,7)
InChIKey: XEEMVPPCXNTVNP-UHFFFAOYSA-N
Smiles:C(O)(=O)CC(Cl)C
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Mass
MS-NW-4363
3-chlorobutyric acid
C4H7ClO2 (Mass of molecular ion: 122)
Source Temperature: 230 °C
Sample Temperature: 170 °C
Reservoir, 75 eV
15.0 2.3
18.0 1.1
26.0 3.8
27.0 31.5
28.0 2.7
29.0 2.4
31.0 2.2
36.0 4.5
37.0 3.7
38.0 5.8
39.0 28.0
40.0 7.4
41.0 53.6
42.0 23.2
43.0 31.8
44.0 5.2
45.0 27.6
49.0 2.7
57.0 1.8
58.0 15.6
59.0 2.3
60.0 19.8
61.0 2.0
62.0 2.2
63.0 18.2
64.0 1.1
65.0 6.4
68.0 4.6
69.0 9.3
71.0 4.8
76.0 4.7
77.0 4.4
78.0 1.8
79.0 1.7
85.0 1.8
86.0 31.4
87.0 100.0
88.0 4.9
105.0 1.9
121.0 1.2