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Methyl (2R,3S)-2-(benzyloxy)-3-methyl-4-oxopentanoate

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Methyl (2R,3S)-2-(benzyloxy)-3-methyl-4-oxopentanoate
SpectraBase Compound ID 6Jbiix0uHad
InChI InChI=1S/C14H18O4/c1-10(11(2)15)13(14(16)17-3)18-9-12-7-5-4-6-8-12/h4-8,10,13H,9H2,1-3H3/t10-,13-/m1/s1
InChIKey QOORPYLXOJHFBA-ZWNOBZJWSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ATPwoaVr2L5
Name Methyl (2R,3S)-2-(benzyloxy)-3-methyl-4-oxopentanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.120509056 u
Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-10(11(2)15)13(14(16)17-3)18-9-12-7-5-4-6-8-12/h4-8,10,13H,9H2,1-3H3/t10-,13-/m1/s1
InChIKey QOORPYLXOJHFBA-ZWNOBZJWSA-N
Molecular Weight 250.294 g/mol
SMILES [C@]([C@@](C(=O)C)(C)[H])(C(=O)OC)(OCC1=CC=CC=C1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947389