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1,5-Pentalenedione, 3-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]hexahydro-, (3.alpha.,3a.beta.,6a.beta.)-
SpectraBase Compound ID KuMZclr9YJX
InChI InChI=1S/C15H22O4/c1-15(2)7-18-14(19-8-15)4-9-3-13(17)12-6-10(16)5-11(9)12/h9,11-12,14H,3-8H2,1-2H3/t9-,11+,12+/m1/s1
InChIKey UZJDLEGLYCJBLF-USWWRNFRSA-N
Mol Weight 266.34 g/mol
Molecular Formula C15H22O4
Exact Mass 266.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GLwAjlK2ovX
Name 1,5-Pentalenedione, 3-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]hexahydro-, (3.alpha.,3a.beta.,6a.beta.)-
Alternate Name(s) (3S,3aS,6aS)-3-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]hexahydro-1,5-pentalenedione 2-(5,5-Dimethyl-1,3-didxan-2-ylmethyl)-4,7-dioxo-cis-bicyclo(3,3,0)octane 3-(5',5'-Dimethyl-1',3'-dioxan-2'-yl)methyl-hexahydropentalene-1,5-dione
CAS Registry Number 112854-01-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O4
InChI InChI=1S/C15H22O4/c1-15(2)7-18-14(19-8-15)4-9-3-13(17)12-6-10(16)5-11(9)12/h9,11-12,14H,3-8H2,1-2H3/t9-,11+,12+/m1/s1
InChIKey UZJDLEGLYCJBLF-USWWRNFRSA-N
Molecular Weight 266.337 g/mol
SMILES [C@@]12([C@]([C@@](CC3OCC(CO3)(C)C)(CC1=O)[H])(CC(C2)=O)[H])[H]
SPLASH splash10-014i-0900000000-e5197d45d29c94d994e1
Source of Spectrum F-43-2153-12
Wiley ID 1270079