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D-Pinitol
SpectraBase Compound ID CZMrVlTktZx
InChI InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4-,5-,6+,7+/m0/s1
InChIKey DSCFFEYYQKSRSV-KLJZZCKASA-N
Mol Weight 194.18 g/mol
Molecular Formula C7H14O6
Exact Mass 194.079038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5gdvQboqwT4
Name 3-O-Methyl-[1,2,4 / 3,5,6]inositol
Alternate Name(s) (1R,2S,4S,5S)-6-methoxy-1,2,3,4,5-cyclohexanepentol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H14O6
InChI InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4-,5-,6+,7+/m0/s1
InChIKey DSCFFEYYQKSRSV-KLJZZCKASA-N
Molecular Weight 194.183 g/mol
SMILES O[C@@]1([C@]([C@]([C@@]([C@@]([C@]1(OC)[H])(O)[H])(O)[H])(O)[H])(O)[H])[H]
SPLASH splash10-000i-9200000000-bc2f5950150b4f560505
Source of Spectrum G-55-1264-0
Wiley ID 748190