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3H-3,10a-Methano-1,2-benzodioxocin-3-ol, octahydro-, (3.alpha.,6a.beta.,10a.beta.)-
SpectraBase Compound ID 32uRec67WKL
InChI InChI=1S/C11H18O3/c12-11-7-3-5-9-4-1-2-6-10(9,8-11)13-14-11/h9,12H,1-8H2/t9-,10-,11-/m1/s1
InChIKey CNMFEPUICFOVJF-GMTAPVOTSA-N
Mol Weight 198.26 g/mol
Molecular Formula C11H18O3
Exact Mass 198.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DQOjcvy70P3
Name 3H-3,10a-Methano-1,2-benzodioxocin-3-ol, octahydro-, (3.alpha.,6a.beta.,10a.beta.)-
CAS Registry Number 95906-88-0
Comments Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 1195504 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O3
InChI InChI=1S/C11H18O3/c12-11-7-3-5-9-4-1-2-6-10(9,8-11)13-14-11/h9,12H,1-8H2/t9-,10-,11-/m1/s1
InChIKey CNMFEPUICFOVJF-GMTAPVOTSA-N
Molecular Weight 198.262 g/mol
SMILES O[C@]12C[C@@]3(OO2)[C@@](CCC1)(CCCC3)[H]
SPLASH splash10-015d-9500000000-94b731233e365577a11f
Source of Spectrum H-67-1753-0
Synonyms (1R*,6R*,10R*)-11,12-dioxatricyclo[8.2.1.0(1,6)]tridecan-10-ol (1R,6R,10R)-11,12-dioxatricyclo[8.2.1.0(1,6)]tridecan-10-ol
Wiley ID 1821352