(S)-(+)-O-乙酰基-L-扁桃酸(7322-88-5)核磁图(13CNMR)
InChI:InChI=1/C10H10O4/c1-7(11)14-9(10(12)13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,12,13)/t9-/s3
InChIKey: OBCUSTCTKLTMBX-DJEYLCQNNA-N
Smiles:C1(=CC=CC=C1)[C@@H](C(=O)O)OC(=O)C |&1:6,r|
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![图谱](https://www.chemicalbook.com/Spectrum/7322-88-5_MS.gif)
Mass
MS-IW-9717
(S)-(+)-o-acetylmandelic acid
C10H10O4 (Mass of molecular ion: 194)
Source Temperature: 150 °C
Sample Temperature: 110 °C
Direct, 75 eV
15.0 2.4
27.0 1.0
28.0 1.8
29.0 1.1
39.0 2.8
42.0 1.1
43.0 100.0
44.0 2.7
45.0 2.4
50.0 2.4
51.0 7.4
52.0 1.6
62.0 1.1
63.0 2.8
77.0 17.2
78.0 2.9
79.0 24.7
80.0 1.7
89.0 3.7
90.0 5.0
91.0 2.7
105.0 16.0
106.0 10.7
107.0 89.0
108.0 18.6
109.0 1.3
118.0 1.2
134.0 33.7
135.0 5.5
149.0 13.0
150.0 4.0
152.0 10.2
166.0 2.2
176.0 7.8
194.0 3.9