(S)-(+)-Methyl mandelate(21210-43-5) MS
Product Name(S)-(+)-Methyl mandelate
CAS21210-43-5
Molecular FormulaC9H10O3
Molecular Weight166.17
InChIInChI=1/C9H10O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8,10H,1H3/t8-/s3
InChIKey ITATYELQCJRCCK-SBYBRXNCNA-N
SmilesC1(C=CC=CC=1)[C@H](O)C(=O)OC |&1:6,r|
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MassMS-NW-9230 (S)-(+)-methyl mandelate C9H10O3 (Mass of molecular ion: 166)
Source Temperature: 250 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 2.3 27.0 1.6 28.0 1.7 29.0 2.5 39.0 2.6 50.0 2.9 51.0 8.7 52.0 2.2 53.0 1.6 59.0 1.0 63.0 1.7 77.0 28.9 78.0 4.6 79.0 51.6 80.0 3.5 89.0 1.2 90.0 1.0 105.0 7.4 106.0 2.4 107.0 100.0 108.0 7.6 166.0 6.5
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
