R(-)-邻氯扁桃酸(52950-18-2)红外图谱(IR1)
InChI:InChI=1/C8H7ClO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/s3
InChIKey: RWOLDZZTBNYTMS-KPOCXSGKNA-N
Smiles:C1(=CC=CC=C1Cl)[C@@H](O)C(=O)O |&1:7,r|
-
Mass
MS2004-02523WA
2-chloro-D-mandelic acid
C8H7ClO3 (Mass of molecular ion: 186)
Source Temperature: 170 °C
Sample Temperature: 120 °C
Direct, 70 eV
28.0 1.6
29.0 2.0
38.0 1.5
39.0 2.1
45.0 3.3
50.0 6.8
51.0 17.0
52.0 2.2
61.0 1.1
62.0 1.7
63.0 2.5
73.0 1.2
74.0 3.3
75.0 7.3
76.0 4.1
77.0 89.2
78.0 7.6
79.0 1.4
85.0 1.1
89.0 4.5
105.0 8.0
111.0 5.4
112.0 1.0
113.0 22.2
114.0 1.6
115.0 6.8
124.0 2.7
139.0 6.6
140.0 2.9
141.0 100.0
142.0 10.4
143.0 32.1
144.0 3.0
169.0 1.0
186.0 5.8
188.0 1.8