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4,7-Dioxatricyclo[3.2.1.03,6]octane, L-chiro-inositol deriv.
SpectraBase Compound ID Hcoh40ht0JL
InChI InChI=1S/C6H8O3/c7-4-2-1-3-5(8-2)6(4)9-3/h2-7H,1H2/t2-,3-,4-,5+,6+/m1/s1
InChIKey LFLRRVNBOCMZTG-TVIMKVIFSA-N
Mol Weight 128.13 g/mol
Molecular Formula C6H8O3
Exact Mass 128.047344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E8dg3QVpj9G
Name 4,7-Dioxatricyclo[3.2.1.03,6]octane, L-chiro-inositol deriv.
Alternate Name(s) L-chiro-Inositol, 2,4:3,6-dianhydro-1-deoxy- (+)-(1R,2R,3S,5R,6S)-4,7-dioxabicyclo[3.2.1.0(3,6)]octan-2-ol (+)-1,3:2,5-Dianhydroviburnitol (1R,2R,3R,5R,6R)-4,7-dioxatricyclo[3.2.1.0(3,6)]octan-2-ol
CAS Registry Number 120200-55-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H8O3
InChI InChI=1S/C6H8O3/c7-4-2-1-3-5(8-2)6(4)9-3/h2-7H,1H2/t2-,3-,4-,5+,6+/m1/s1
InChIKey LFLRRVNBOCMZTG-TVIMKVIFSA-N
Molecular Weight 128.127 g/mol
SMILES O[C@@]1([C@]2(C[C@]3(O[C@@]1([C@]3(O2)[H])[H])[H])[H])[H]
SPLASH splash10-02u0-9000000000-01d5026ac34b77f4bc38
Source of Spectrum H-71-1403-0
Wiley ID 1131075