萜品(水合結(jié)晶)(2451-01-6)Raman光譜
InChI:InChI=1S/C10H20O2.H2O/c1-9(2,11)8-4-6-10(3,12)7-5-8;/h8,11-12H,4-7H2,1-3H3;1H2
InChIKey: JGKJMBOJWVAMIJ-UHFFFAOYSA-N
Smiles:C(O)(C)(C)C1CCC(O)(C)CC1.O
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Mass
MS-NW-9138
cis-1,8-terpin monohydrate
C10H20O2 H2O (Mass of molecular ion: 172)
Source Temperature: 140 °C
Sample Temperature: 80 °C
Direct, 75 eV
17.0 1.8
18.0 11.2
27.0 1.9
29.0 2.9
31.0 3.2
39.0 2.0
41.0 6.3
43.0 37.2
45.0 1.5
53.0 1.5
54.0 7.0
55.0 13.6
56.0 1.7
57.0 1.9
58.0 7.4
59.0 51.9
60.0 1.7
66.0 1.0
67.0 11.6
68.0 15.1
69.0 9.6
71.0 15.6
72.0 1.0
77.0 15.4
79.0 1.8
81.0 100.0
82.0 7.1
83.0 4.6
84.0 8.7
85.0 1.3
93.0 5.0
94.0 1.8
95.0 11.6
96.0 99.2
97.0 10.1
107.0 1.4
108.0 7.3
111.0 4.7
121.0 3.6
125.0 3.1
126.0 3.8
136.0 4.3
137.0 4.6
139.0 20.0
140.0 2.0
154.0 5.4
155.0 1.3