Product NameDL-M- (DL-m-Hydroxymandelic acid)
CAS53623-77-1
Molecular FormulaC15H14N2O3
Molecular Weight270.28326
InChIInChI=1S/C15H14N2O3/c1-10-7-8-11(2)13(9-10)16-15(18)12-5-3-4-6-14(12)17(19)20/h3-9H,1-2H3,(H,16,18)
InChIKey IGUIIBFKJFKXRE-UHFFFAOYSA-N
SmilesC(NC1=CC(C)=CC=C1C)(=O)C1=CC=CC=C1[N+]([O-])=O

Mass
MS-NW-6964 DL-hydroxy(m-hydroxyphenyl)acetic acid C8H8O4 (Mass of molecular ion: 168)
Source Temperature: 210 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 2.5
27.0 2.9
28.0 1.5
29.0 5.6
37.0 1.4
38.0 4.1
39.0 17.5
40.0 3.5
41.0 7.2
43.0 1.0
44.0 1.3
45.0 3.2
50.0 3.8
51.0 8.8
52.0 1.9
53.0 3.4
55.0 4.3
61.0 1.4
61.5 1.0
62.0 2.4
63.0 5.3
64.0 2.2
65.0 17.0
66.0 7.4
67.0 6.2
74.0 1.5
75.0 1.2
77.0 58.4
78.0 7.1
79.0 1.0
93.0 7.2
94.0 6.8
95.0 100.0
96.0 7.0
105.0 3.1
106.0 2.7
107.0 1.1
121.0 9.7
122.0 5.5
123.0 99.7
124.0 9.4
168.0 49.7
169.0 4.8
KBr disc

nujol mull

DL-M- (DL-m-Hydroxymandelic acid)(53623-77-1) MS Atlas of Related Products
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