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Penta-o-benzoyl-6-deoxy-L-mannitol

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

Penta-o-benzoyl-6-deoxy-L-mannitol
SpectraBase Compound ID KBFMyoI4ZUW
InChI InChI=1S/C41H34O10/c1-28(48-38(43)30-19-9-3-10-20-30)35(50-40(45)32-23-13-5-14-24-32)36(51-41(46)33-25-15-6-16-26-33)34(49-39(44)31-21-11-4-12-22-31)27-47-37(42)29-17-7-2-8-18-29/h2-26,28,34-36H,27H2,1H3/t28-,34-,35-,36-/m0/s1
InChIKey YDFLHMFXXIJCQT-KNNPLYPDSA-N
Mol Weight 686.7 g/mol
Molecular Formula C41H34O10
Exact Mass 686.215197 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HWujyXCYX5o
Name Penta-o-benzoyl-6-deoxy-L-mannitol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 686.215197285 u
Formula C41H34O10
InChI InChI=1S/C41H34O10/c1-28(48-38(43)30-19-9-3-10-20-30)35(50-40(45)32-23-13-5-14-24-32)36(51-41(46)33-25-15-6-16-26-33)34(49-39(44)31-21-11-4-12-22-31)27-47-37(42)29-17-7-2-8-18-29/h2-26,28,34-36H,27H2,1H3/t28-,34-,35-,36-/m0/s1
InChIKey YDFLHMFXXIJCQT-KNNPLYPDSA-N
SMILES [C@@]([C@@](OC(=O)C=1C=CC=CC1)([C@@](OC(=O)C=1C=CC=CC1)(C)[H])[H])(OC(=O)C1=CC=CC=C1)([C@@](OC(=O)C1=CC=CC=C1)(COC(=O)C1=CC=CC=C1)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.864948