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(1S,3R)-4-(methoxymethoxy)-1-phenyl-butane-1,3-diol

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

(1S,3R)-4-(methoxymethoxy)-1-phenyl-butane-1,3-diol
SpectraBase Compound ID AlgDKomy9fK
InChI InChI=1S/C12H18O4/c1-15-9-16-8-11(13)7-12(14)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11-,12+/m1/s1
InChIKey VOKFZSKSWOSEGW-NEPJUHHUSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EFPaKYvtfDm
Name (1S,3R)-4-(Methoxymethoxy)-1-phenyl-butane-1,3-diol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.120509056 u
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-15-9-16-8-11(13)7-12(14)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11-,12+/m1/s1
InChIKey VOKFZSKSWOSEGW-NEPJUHHUSA-N
Molecular Weight 226.272 g/mol
SMILES C([C@@](C1=CC=CC=C1)(O)[H])[C@@](O)(COCOC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.897264