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allo-Inositol

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

allo-Inositol
SpectraBase Compound ID 9zm5kgLlj95
InChI InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4-,5-,6+
InChIKey CDAISMWEOUEBRE-OQYPVSDDSA-N
Mol Weight 180.16 g/mol
Molecular Formula C6H12O6
Exact Mass 180.063388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8SG9ixkEO29
Name Allo-Inositol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O6
InChI InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4-,5-,6+
InChIKey CDAISMWEOUEBRE-OQYPVSDDSA-N
Molecular Weight 180.156 g/mol
SMILES O[C@@]1([C@]([C@]([C@@]([C@@]([C@@]1(O)[H])(O)[H])(O)[H])(O)[H])(O)[H])[H]
SPLASH splash10-00di-9000000000-879256a7a0ad70caf736
Source of Spectrum K1-2003-1966-3
Synonyms 1,2,3,4,5,6-Cyclohexanehexol
Wiley ID 1521029