REL-(1R,3R)-环己烷-1,3-二醇
产品名称
REL-(1R,3R)-环己烷-1,3-二醇
CAS号5515-64-0
分子式C6H12O2
分子量116.16
InChIInChI=1/C6H12O2/c7-5-2-1-3-6(8)4-5/h5-8H,1-4H2/t5-,6-/s3
InChIKeyRLMGYIOTPQVQJR-FJGCHTOXNA-N
Smiles[C@@H]1(O)CCC[C@@H](O)C1 |&1:0,5,r|
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Mass
MS2010-04408CW
trans-1,3-cyclohexanediol
C6H12O2 (Mass of molecular ion: 116)
Source Temperature: 245 °C
Sample Temperature: 25 °C
Direct, 70 eV
15.0 3.2
18.0 2.5
19.0 4.3
26.0 2.0
27.0 19.3
28.0 5.3
29.0 12.0
31.0 9.7
38.0 1.8
39.0 21.0
40.0 4.0
41.0 32.6
42.0 33.6
43.0 42.8
44.0 82.2
45.0 25.2
47.0 8.9
50.0 1.4
51.0 2.5
53.0 5.7
54.0 53.2
55.0 23.0
56.0 5.8
57.0 37.8
58.0 3.1
59.0 1.9
60.0 1.0
65.0 1.1
67.0 4.0
68.0 1.4
69.0 15.2
70.0 66.0
71.0 7.7
72.0 1.7
73.0 31.6
74.0 1.5
75.0 1.8
77.0 1.9
79.0 5.7
80.0 26.4
81.0 6.5
83.0 53.0
84.0 2.9
97.0 32.3
98.0 100.0
99.0 6.7