SpectraBase Spectrum ID |
GWctTlL6Gqe |
Name |
Sorbitol 6AC |
Classification |
Sweetener derivative |
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-XMTFNYHQSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
434.394 g/mol |
Nominal Mass |
434 u |
Quality |
936 |
Retention Index |
3019 |
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 |
splash10-00kr-1920000000-d110de1225765eac96af |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
Sorbitol hexaacetate
(2R,3R,4R,5S)-1,2,4,5,6-pentakis(acetyloxy)hexan-3-yl acetate |
Technique |
GC/MS |
Wiley ID |
DD2024_014480 |