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Hexitol acetate
SpectraBase Compound ID 2Ssfegy8Hiu
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
InChIKey NJVBTKVPPOFGAT-UHFFFAOYSA-N
Mol Weight 434.39 g/mol
Molecular Formula C18H26O12
Exact Mass 434.142426 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1rEU6MBLWa
Name Mannitol 6AC
Classification Laxative
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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
InChIKey NJVBTKVPPOFGAT-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 434.394 g/mol
Related CAS Registry Number(s) 69-65-8
SMILES C(C(COC(C)=O)OC(=O)C)(OC(=O)C)C(C(COC(C)=O)OC(=O)C)OC(=O)C
SPLASH splash10-0699-2920000000-b8ffbe0e955f38485139
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
Synonyms Mannitol 6AC
Technique GC/MS
Wiley ID MMPW6e_1965