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Saccharose 8AC
SpectraBase Compound ID 4s84KrWEQeQ
InChI InChI=1S/C28H38O19/c1-12(29)37-9-20-22(40-15(4)32)24(42-17(6)34)25(43-18(7)35)27(45-20)47-28(11-39-14(3)31)26(44-19(8)36)23(41-16(5)33)21(46-28)10-38-13(2)30/h20-27H,9-11H2,1-8H3/t20?,21-,22-,23-,24?,25?,26+,27?,28+/m1/s1
InChIKey ZIJKGAXBCRWEOL-UKULZDFGSA-N
Mol Weight 678.6 g/mol
Molecular Formula C28H38O19
Exact Mass 678.200729 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2o7boY7tqym
Name Saccharose 8AC
CAS Registry Number 126-14-7
Classification Sugar derivative
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 678.200728985 u
Formula C28H38O19
InChI InChI=1S/C28H38O19/c1-12(29)37-9-20-22(40-15(4)32)24(42-17(6)34)25(43-18(7)35)27(45-20)47-28(11-39-14(3)31)26(44-19(8)36)23(41-16(5)33)21(46-28)10-38-13(2)30/h20-27H,9-11H2,1-8H3/t20?,21-,22-,23-,24?,25?,26+,27?,28+/m1/s1
InChIKey ZIJKGAXBCRWEOL-UKULZDFGSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 678.593 g/mol
Nominal Mass 678 u
Quality 998
Retention Index 4892
SMILES [C@]1([C@]([C@@]([C@](O1)(COC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC1C(C([C@@](C(O1)COC(=O)C)(OC(=O)C)[H])OC(=O)C)OC(=O)C)COC(=O)C
SPLASH splash10-07wc-4932000000-6ae859ae84782fe4f60c
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Octaacetylsucrose 1,3,4,6-Tetra-O-acetyl-beta-D-fructofuranosyl-2,3,4,6-tetra-O-acetyl-alpha-D-glucopyranoside
Technique GC/MS
Wiley ID DD2024_017261