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mannitol, hexaacetate
SpectraBase Compound ID 3IVhQEI1DsH
InChI InChI=1S/C18H26O12/c1-9(19)25-7-15(27-11(3)21)17(29-13(5)23)18(30-14(6)24)16(28-12(4)22)8-26-10(2)20/h15-18H,7-8H2,1-6H3/t15-,16-,17-,18-/m1/s1
InChIKey NJVBTKVPPOFGAT-BRSBDYLESA-N
Mol Weight 434.39 g/mol
Molecular Formula C18H26O12
Exact Mass 434.142426 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8G60k1LAcbI
Name Mannitol 6AC
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 434.142426265 u
Formula C18H26O12
InChI InChI=1S/C18H26O12/c1-9(19)25-7-15(27-11(3)21)17(29-13(5)23)18(30-14(6)24)16(28-12(4)22)8-26-10(2)20/h15-18H,7-8H2,1-6H3/t15-,16-,17-,18-/m1/s1
InChIKey NJVBTKVPPOFGAT-BRSBDYLESA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 434.394 g/mol
Nominal Mass 434 u
Quality 997
Retention Index 3171
SMILES [C@@]([C@@]([C@](OC(=O)C)(COC(=O)C)[H])(OC(=O)C)[H])([C@](OC(=O)C)(COC(=O)C)[H])(OC(=O)C)[H]
SPLASH splash10-0006-9710000000-72e8e7740893ae9fa1d1
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (2R,3R,4R,5R)-1,2,4,5,6-pentakis(acetyloxy)hexan-3-yl acetate
Technique GC/MS
Wiley ID DD2024_032985