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2-Benzyloxy-8,9-diisobutyloxy-8,9-dimethyl-3,7,10-trioxabicyclo[4.4.0]decane-5-one
SpectraBase Compound ID 6wcXMiIgw3D
InChI InChI=1S/C24H36O7/c1-16(2)12-28-23(5)24(6,29-13-17(3)4)31-21-20(30-23)19(25)15-27-22(21)26-14-18-10-8-7-9-11-18/h7-11,16-17,20-22H,12-15H2,1-6H3
InChIKey BMPOOKWGSWMUMB-UHFFFAOYSA-N
Mol Weight 436.5 g/mol
Molecular Formula C24H36O7
Exact Mass 436.246103 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GkG1VDW85jk
Name 2-Benzyloxy-8,9-diisobutyloxy-8,9-dimethyl-3,7,10-trioxabicyclo[4.4.0]decane-5-one
Alternate Name(s) 5-(benzyloxy)-2,3-dimethyl-2,3-bis(2-methylpropoxy)-hexahydro-2H-pyrano[3,4-b][1,4]dioxin-8-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36O7
InChI InChI=1S/C24H36O7/c1-16(2)12-28-23(5)24(6,29-13-17(3)4)31-21-20(30-23)19(25)15-27-22(21)26-14-18-10-8-7-9-11-18/h7-11,16-17,20-22H,12-15H2,1-6H3
InChIKey BMPOOKWGSWMUMB-UHFFFAOYSA-N
Molecular Weight 436.545 g/mol
SMILES C12C(OCC(C2OC(C(O1)(C)OCC(C)C)(C)OCC(C)C)=O)OCc1ccccc1
SPLASH splash10-03di-0009000000-7745fa4cc96b024b3127
Source of Spectrum F-70-7287-7
Wiley ID 1597416