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Methyl (S)-(+)-mandelate
SpectraBase Compound ID Ift6KUbXO2p
InChI InChI=1S/C9H10O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8,10H,1H3/t8-/m0/s1
InChIKey ITATYELQCJRCCK-QMMMGPOBSA-N
Mol Weight 166.18 g/mol
Molecular Formula C9H10O3
Exact Mass 166.062994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9wvA9L9zsfN
Name methyl L-mandelate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10O3
InChI InChI=1S/C9H10O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8,10H,1H3/t8-/m0/s1
InChIKey ITATYELQCJRCCK-QMMMGPOBSA-N
Instrument Name Finnigan TRACE DSQ
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000120
Molecular Weight 166.176 g/mol
SMILES O[C@](C(=O)OC)(c1ccccc1)[H]
SPLASH splash10-056r-9700000000-e2a1010f65843fa7b79a
Source of Spectrum ASC-362-SM18-1b
Wiley ID 1839273