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

*Links on SpectraBase are not permalinks.
Sorbitol 6PFP
SpectraBase Compound ID 5EIefQV7qdn
InChI InChI=1S/C24H8F30O12/c25-13(26,19(37,38)39)7(55)61-1-3(63-9(57)15(29,30)21(43,44)45)5(65-11(59)17(33,34)23(49,50)51)6(66-12(60)18(35,36)24(52,53)54)4(64-10(58)16(31,32)22(46,47)48)2-62-8(56)14(27,28)20(40,41)42/h3-6H,1-2H2
InChIKey FDDASCQIELIGPU-UHFFFAOYSA-N
Mol Weight 1058.27 g/mol
Molecular Formula C24H8F30O12
Exact Mass 1057.953671 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 2K4ry9Q2Yy
Name Sorbitol 6PFP
Classification Sweetener
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 1057.953670576 u
Formula C24H8F30O12
InChI InChI=1S/C24H8F30O12/c25-13(26,19(37,38)39)7(55)61-1-3(63-9(57)15(29,30)21(43,44)45)5(65-11(59)17(33,34)23(49,50)51)6(66-12(60)18(35,36)24(52,53)54)4(64-10(58)16(31,32)22(46,47)48)2-62-8(56)14(27,28)20(40,41)42/h3-6H,1-2H2
InChIKey FDDASCQIELIGPU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 1058.268 g/mol
SMILES C(C(C(COC(C(F)(F)C(F)(F)F)=O)OC(C(F)(F)C(F)(F)F)=O)OC(=O)C(C(F)(F)F)(F)F)(C(COC(C(C(F)(F)F)(F)F)=O)OC(=O)C(F)(F)C(F)(F)F)OC(C(F)(F)C(F)(F)F)=O
SPLASH splash10-066r-8960000000-ab9e93b9495a76845369
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.
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_5807