庚酸(111-14-8)紅外圖譜(IR1)
InChI:InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
InChIKey: MNWFXJYAOYHMED-UHFFFAOYSA-N
Smiles:C(O)(=O)CCCCCC
-
Mass
MS-NW-0544
heptanoic acid
C7H14O2 (Mass of molecular ion: 130)
Source Temperature: 260 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
18.0 2.2
26.0 1.1
27.0 15.1
28.0 3.9
29.0 15.8
31.0 1.6
39.0 8.2
40.0 1.4
41.0 24.2
42.0 6.1
43.0 27.1
45.0 5.7
53.0 1.3
55.0 15.9
56.0 3.8
57.0 2.4
59.0 3.0
60.0 100.0
61.0 11.7
68.0 2.8
69.0 4.3
70.0 12.6
71.0 14.1
73.0 47.1
74.0 5.6
83.0 2.8
84.0 4.4
87.0 19.6
88.0 1.3
101.0 6.1