D-Mannitol, 2,5-bis-o-(diphenylmethyl)-1,3:4,6-bis-o-(phenylmethylene)-, [1(R),4(R)]-

SpectraBase Compound ID	B9uwbcmaASP
InChI	InChI=1S/C46H42O6/c1-7-19-33(20-8-1)41(34-21-9-2-10-22-34)49-39-31-47-45(37-27-15-5-16-28-37)51-43(39)44-40(32-48-46(52-44)38-29-17-6-18-30-38)50-42(35-23-11-3-12-24-35)36-25-13-4-14-26-36/h1-30,39-46H,31-32H2/t39?,40?,43?,44?,45-,46-/m1/s1
InChIKey	DKIUNPWUBNDOFP-SNJPEDHOSA-N Google Search
Mol Weight	690.8 g/mol
Molecular Formula	C46H42O6
Exact Mass	690.298139 g/mol

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SpectraBase Spectrum ID	6UTJRdWeOkF
Name	D-Mannitol, 2,5-bis-o-(diphenylmethyl)-1,3:4,6-bis-o-(phenylmethylene)-, [1(R),4(R)]-
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	690.298139066 u
Formula	C46H42O6
InChI	InChI=1S/C46H42O6/c1-7-19-33(20-8-1)41(34-21-9-2-10-22-34)49-39-31-47-45(37-27-15-5-16-28-37)51-43(39)44-40(32-48-46(52-44)38-29-17-6-18-30-38)50-42(35-23-11-3-12-24-35)36-25-13-4-14-26-36/h1-30,39-46H,31-32H2/t39?,40?,43?,44?,45-,46-/m1/s1
InChIKey	DKIUNPWUBNDOFP-SNJPEDHOSA-N
SMILES	C1(C2O[C@](C=3C=CC=CC3)(OCC2OC(C2=CC=CC=C2)C2=CC=CC=C2)[H])O[C@](C2=CC=CC=C2)(OCC1OC(C=1C=CC=CC1)C=1C=CC=CC1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.953531