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2,5-di-o-Benzoyl-1,3,4,6-tetra-o-benzyl-D-mannitol

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2,5-di-o-Benzoyl-1,3,4,6-tetra-o-benzyl-D-mannitol
SpectraBase Compound ID GNRwd4vohCd
InChI InChI=1S/C48H46O8/c49-47(41-27-15-5-16-28-41)55-43(35-51-31-37-19-7-1-8-20-37)45(53-33-39-23-11-3-12-24-39)46(54-34-40-25-13-4-14-26-40)44(36-52-32-38-21-9-2-10-22-38)56-48(50)42-29-17-6-18-30-42/h1-30,43-46H,31-36H2
InChIKey LITYKSMKPZAODI-UHFFFAOYSA-N
Mol Weight 750.9 g/mol
Molecular Formula C48H46O8
Exact Mass 750.319268 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ER99Ft2XCSM
Name 2,5-di-o-Benzoyl-1,3,4,6-tetra-o-benzyl-D-mannitol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 750.319268433 u
Formula C48H46O8
InChI InChI=1S/C48H46O8/c49-47(41-27-15-5-16-28-41)55-43(35-51-31-37-19-7-1-8-20-37)45(53-33-39-23-11-3-12-24-39)46(54-34-40-25-13-4-14-26-40)44(36-52-32-38-21-9-2-10-22-38)56-48(50)42-29-17-6-18-30-42/h1-30,43-46H,31-36H2
InChIKey LITYKSMKPZAODI-UHFFFAOYSA-N
Molecular Weight 750.888 g/mol
SMILES C(OCC1=CC=CC=C1)(C(OC(=O)C1=CC=CC=C1)COCC1=CC=CC=C1)C(C(COCC1=CC=CC=C1)OC(C1=CC=CC=C1)=O)OCC1=CC=CC=C1