For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

D-Mannitol, 2,5-bis-o-(3,7,11,15-tetramethylhexadecyl)-

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

D-Mannitol, 2,5-bis-o-(3,7,11,15-tetramethylhexadecyl)-
SpectraBase Compound ID EuMDfxGAckP
InChI InChI=1S/C46H94O6/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-51-43(33-47)45(49)46(50)44(34-48)52-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-50H,11-34H2,1-10H3/t37?,38?,39?,40?,41?,42?,43-,44-,45-,46-/m1/s1
InChIKey HKSDFBFUPDAFQN-VJJUSDEISA-N
Mol Weight 743.3 g/mol
Molecular Formula C46H94O6
Exact Mass 742.705041 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8XpbHV6lUpj
Name D-Mannitol, 2,5-bis-o-(3,7,11,15-tetramethylhexadecyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 742.705040741 u
Formula C46H94O6
InChI InChI=1S/C46H94O6/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-51-43(33-47)45(49)46(50)44(34-48)52-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-50H,11-34H2,1-10H3/t37?,38?,39?,40?,41?,42?,43-,44-,45-,46-/m1/s1
InChIKey HKSDFBFUPDAFQN-VJJUSDEISA-N
Molecular Weight 743.252 g/mol
SMILES [C@@]([C@@]([C@](OCCC(CCCC(CCCC(CCCC(C)C)C)C)C)(CO)[H])(O)[H])([C@](OCCC(CCCC(CCCC(CCCC(C)C)C)C)C)(CO)[H])(O)[H]