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1,6-di-o-(Ethoxyethoxy)pseudo-D-arabinopyranose [2,3-dibenzyloxy-1-(ethoxyethoxy)-5-(ethoxyethoxymethyl)cyclopentane]
SpectraBase Compound ID CbfZgCLaEUR
InChI InChI=1S/C28H40O6/c1-3-29-15-16-31-22-25-19-26(32-18-17-30-4-2)28(34-21-24-13-9-6-10-14-24)27(25)33-20-23-11-7-5-8-12-23/h5-14,25-28H,3-4,15-22H2,1-2H3/t25-,26+,27-,28-/m1/s1
InChIKey QDRWVXPQUJDXDX-JUDWXZBOSA-N
Mol Weight 472.6 g/mol
Molecular Formula C28H40O6
Exact Mass 472.282489 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Dd2DHNQnEhw
Name 1,6-di-o-(Ethoxyethoxy)pseudo-D-arabinopyranose [2,3-dibenzyloxy-1-(ethoxyethoxy)-5-(ethoxyethoxymethyl)cyclopentane]
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 472.282489002 u
Formula C28H40O6
InChI InChI=1S/C28H40O6/c1-3-29-15-16-31-22-25-19-26(32-18-17-30-4-2)28(34-21-24-13-9-6-10-14-24)27(25)33-20-23-11-7-5-8-12-23/h5-14,25-28H,3-4,15-22H2,1-2H3/t25-,26+,27-,28-/m1/s1
InChIKey QDRWVXPQUJDXDX-JUDWXZBOSA-N
Molecular Weight 472.622 g/mol
SMILES [C@]1([C@@]([C@@](COCCOCC)(C[C@@]1(OCCOCC)[H])[H])(OCC1=CC=CC=C1)[H])(OCC=1C=CC=CC1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971439