Methyl DL-mandelate(4358-87-6) MS
Product NameMethyl DL-mandelate
CAS4358-87-6
Molecular FormulaC9H10O3
Molecular Weight166.18
InChIInChI=1S/C9H10O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8,10H,1H3
InChIKey ITATYELQCJRCCK-UHFFFAOYSA-N
SmilesC(C1C=CC=CC=1)(O)C(=O)OC
-
MassMS-NW-1686 methyl DL-mandelate C9H10O3 (Mass of molecular ion: 166)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 5.5 27.0 2.5 28.0 1.2 29.0 3.7 39.0 3.2 50.0 3.4 51.0 10.1 52.0 2.5 53.0 1.7 59.0 1.1 63.0 1.7 77.0 28.2 78.0 5.0 79.0 54.9 80.0 3.7 89.0 1.1 90.0 1.0 105.0 6.3 106.0 2.0 107.0 100.0 108.0 8.0 166.0 9.7 167.0 1.0
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
