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(3S,5R,6S)-1,7-dioxaspiro[5.5]undecane-3,5-diol
SpectraBase Compound ID 9Z6WTfRgOin
InChI InChI=1S/C9H16O4/c10-7-5-8(11)9(13-6-7)3-1-2-4-12-9/h7-8,10-11H,1-6H2/t7-,8+,9-/m0/s1
InChIKey RFLIXNYJMWZEMM-YIZRAAEISA-N
Mol Weight 188.22 g/mol
Molecular Formula C9H16O4
Exact Mass 188.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BQFFECTscbe
Name (3S,5R,6S)-1,7-dioxaspiro[5.5]undecane-3,5-diol
Alternate Name(s) (6S,7R,9S)-5,11-dioxaspiro[5.5]undecane-7,9-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O4
InChI InChI=1S/C9H16O4/c10-7-5-8(11)9(13-6-7)3-1-2-4-12-9/h7-8,10-11H,1-6H2/t7-,8+,9-/m0/s1
InChIKey RFLIXNYJMWZEMM-YIZRAAEISA-N
Molecular Weight 188.223 g/mol
SMILES O[C@@]1(C[C@@](CO[C@]11OCCCC1)(O)[H])[H]
SPLASH splash10-0pb9-5900000000-7917dc6589145186e722
Source of Spectrum KC-0-268-4
Wiley ID 824060