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Methyl (S)-(+)-mandelate

View entire compound with spectra: 3 NMR, 5 FTIR, 2 Raman, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9yBvpxOjCDz
Name Methyl (S)-(+)-mandelate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 251542
CAS Registry Number 21210-43-5
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 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
Observed nucleus 13C
Purity >=99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms (+)-Methyl (S)-alpha-hydroxyphenylacetate (+)-Methyl L-mandelate
Wiley ID SIAL_13CNMR_004331