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3.alpha.,5-Di-n-Butyl-3.beta.,9.beta.-dihydroxy-4,11-dioxatetracyclo[5.2.1.1(5,8).0(2,6)]undecane
SpectraBase Compound ID 6RkkVFUQIb5
InChI InChI=1S/C17H28O4/c1-3-5-7-16(19)12-10-9-11-13(12)17(21-16,8-6-4-2)20-15(11)14(10)18/h10-15,18-19H,3-9H2,1-2H3/t10-,11+,12-,13-,14+,15-,16+,17?/m1/s1
InChIKey RWOUKAZYVFPKPV-OUHROYRFSA-N
Mol Weight 296.41 g/mol
Molecular Formula C17H28O4
Exact Mass 296.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8WDtzJqFWXy
Name 3.alpha.,5-Di-n-Butyl-3.beta.,9.beta.-dihydroxy-4,11-dioxatetracyclo[5.2.1.1(5,8).0(2,6)]undecane
Alternate Name(s) (4S,9S)-4,6-dibutyl-5,7-dioxatetracyclo[6.3.0.0(2,6).0(3,10)]undecane-4,9-diol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O4
InChI InChI=1S/C17H28O4/c1-3-5-7-16(19)12-10-9-11-13(12)17(21-16,8-6-4-2)20-15(11)14(10)18/h10-15,18-19H,3-9H2,1-2H3/t10-,11+,12-,13-,14+,15-,16+,17?/m1/s1
InChIKey RWOUKAZYVFPKPV-OUHROYRFSA-N
Molecular Weight 296.407 g/mol
SMILES O[C@]1([C@]2([C@@]3([C@@]4(C(O[C@@]3(O)CCCC)(O[C@@]1([C@]4(C2)[H])[H])CCCC)[H])[H])[H])[H]
SPLASH splash10-0udi-0900000000-0568cc20a63f1a2116f3
Source of Spectrum F-56-345-4
Wiley ID 855596