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Methyl (S)-(+)-mandelate

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
Enantiomer InChIKey ITATYELQCJRCCK-MRVPVSSYSA-N
Racemate InChIKey ITATYELQCJRCCK-UHFFFAOYSA-N

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Raman Spectrum
Copyright Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Alfa Aesar, A Johnson Matthey Company
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number L14070

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Raman Spectrum
Copyright Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved.
Catalog Number 251542

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FTIR Spectrum
Copyright Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Alfa Aesar, A Johnson Matthey Company
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number L14070
Technique Film(Acetone)

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ATR-IR Spectrum
Copyright Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Alfa Aesar, A Johnson Matthey Company
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number L14070

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ATR-IR Spectrum
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Catalog Number 251542

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum ASC-362-SM18-1b

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13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.

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13C NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 251542
Solvent CDCl3

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1H NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 251542
Solvent CDCl3

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Vapor Phase IR Spectrum
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 251542

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Vapor Phase IR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 251542
  • (+)-Methyl L-mandelate
  • (+)-Methyl (S)-a-hydroxyphenylacetate
  • Methyl L-(+)-Mandelate
  • ITATYELQCJRCCK-QMMMGPOBSA-N
  • methyl L-mandelate
DL-Mandelic acid, methyl ester
Methyl D-(-)-mandelate
3-AMINO-1-HEXANOL, MANDELATE (SALT)
Benzeneacetic acid, .alpha.-methyl-, methyl ester
(1S)-1-hydroxy-1-phenyl-2-butanone
1-Hydroxy-1-phenylbutan-2-one
1,2-Ethanediol, 1-phenyl-, 2-carbamate
2-butoxy-1-phenylethan-1-ol
2-(but-3-en-1-yloxy)-1-phenylethanol
2-(tert-butoxy)-1-phenylethan-1-ol
(S)-2,2-DIMETHOXY-1-PHENYLETHANOL
(E)-4-(2-Hydroxy-2-phenylethoxy)but-2-en-1-ol
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