| 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 |
