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6-o-Benzyl-3-deoxy-1,2-o-isopropylidene-3-C-[2-(4-methoxybenzyloxy)ethyl]-5-o-methyl-.beta.-L-talofuranose
SpectraBase Compound ID EnknWo6CtTi
InChI InChI=1S/C27H36O7/c1-27(2)33-25-22(14-15-30-16-20-10-12-21(28-3)13-11-20)24(32-26(25)34-27)23(29-4)18-31-17-19-8-6-5-7-9-19/h5-13,22-26H,14-18H2,1-4H3/t22-,23+,24+,25-,26-/m1/s1
InChIKey BONDYQMZGQMVQH-RSFKBIFASA-N
Mol Weight 472.6 g/mol
Molecular Formula C27H36O7
Exact Mass 472.246103 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DxkkLq9AV4N
Name 6-o-Benzyl-3-deoxy-1,2-o-isopropylidene-3-C-[2-(4-methoxybenzyloxy)ethyl]-5-o-methyl-.beta.-L-talofuranose
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 472.246103492 u
Formula C27H36O7
InChI InChI=1S/C27H36O7/c1-27(2)33-25-22(14-15-30-16-20-10-12-21(28-3)13-11-20)24(32-26(25)34-27)23(29-4)18-31-17-19-8-6-5-7-9-19/h5-13,22-26H,14-18H2,1-4H3/t22-,23+,24+,25-,26-/m1/s1
InChIKey BONDYQMZGQMVQH-RSFKBIFASA-N
Molecular Weight 472.578 g/mol
SMILES [C@@]12(OC(O[C@@]2([C@@]([C@](O1)([C@@](OC)(COCC=1C=CC=CC1)[H])[H])(CCOCC=1C=CC(=CC1)OC)[H])[H])(C)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.800922