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

*Links on SpectraBase are not permalinks.
SUCROSE, OCTA-O-ACETYL-
SpectraBase Compound ID 5vbPkWv6pJT
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
InChIKey ZIJKGAXBCRWEOL-UHFFFAOYSA-N
Mol Weight 678.6 g/mol
Molecular Formula C28H38O19
Exact Mass 678.200729 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID LF8V1bxK28o
Name Saccharose 8AC
CAS Registry Number 126-14-7
Classification Sugar
Copyright Copyright © 2023-2024 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
InChIKey ZIJKGAXBCRWEOL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 678.593 g/mol
SMILES C1(C(C(OC1(OC1C(OC(C)=O)C(C(OC(C)=O)C(COC(C)=O)O1)OC(C)=O)COC(=O)C)COC(C)=O)OC(C)=O)OC(C)=O
SPLASH splash10-07w9-1922000000-691fce6959b6cf220a42
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: U+UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_1961