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1-Deoxy-6-trityl-D-altritol, 2,3,4,5-tetraethanolate

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1-Deoxy-6-trityl-D-altritol, 2,3,4,5-tetraethanolate
SpectraBase Compound ID J39OHrCnAA2
InChI InChI=1S/C33H36O13/c1-22(43-29(34)38-2)27(45-31(36)40-4)28(46-32(37)41-5)26(44-30(35)39-3)21-42-33(23-15-9-6-10-16-23,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h6-20,22,26-28H,21H2,1-5H3
InChIKey WWMXARNVPAGHQX-UHFFFAOYSA-N
Mol Weight 640.6 g/mol
Molecular Formula C33H36O13
Exact Mass 640.215591 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 42ne6dhiXmA
Name 1-Deoxy-6-trityl-D-altritol, 2,3,4,5-tetraethanolate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 640.215591206 u
Formula C33H36O13
InChI InChI=1S/C33H36O13/c1-22(43-29(34)38-2)27(45-31(36)40-4)28(46-32(37)41-5)26(44-30(35)39-3)21-42-33(23-15-9-6-10-16-23,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h6-20,22,26-28H,21H2,1-5H3
InChIKey WWMXARNVPAGHQX-UHFFFAOYSA-N
Molecular Weight 640.638 g/mol
SMILES C(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)OCC(C(C(C(C)OC(OC)=O)OC(OC)=O)OC(OC)=O)OC(OC)=O