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(2S,4R)-4-benzyloxypentan-2-ol

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(2S,4R)-4-benzyloxypentan-2-ol
SpectraBase Compound ID 3rooc0V8aAP
InChI InChI=1S/C12H18O2/c1-10(13)8-11(2)14-9-12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3/t10-,11+/m0/s1
InChIKey ZDGYZKNTFSWSEU-WDEREUQCSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KMoPEU2ahW0
Name (2S,4R)-4-(Benzyloxy)pentan-2-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 194.130679818 u
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-10(13)8-11(2)14-9-12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3/t10-,11+/m0/s1
InChIKey ZDGYZKNTFSWSEU-WDEREUQCSA-N
Molecular Weight 194.274 g/mol
SMILES C([C@@](C)(OCC1=CC=CC=C1)[H])[C@@](O)(C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938402