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2-tert-Butyl-5-isopropyl-6-methyl-1,3-dioxan-4-one
SpectraBase Compound ID 5tmDMP6CcbN
InChI InChI=1S/C12H22O3/c1-7(2)9-8(3)14-11(12(4,5)6)15-10(9)13/h7-9,11H,1-6H3
InChIKey ZNQCVINNEKZFCC-UHFFFAOYSA-N
Mol Weight 214.3 g/mol
Molecular Formula C12H22O3
Exact Mass 214.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AX9g16mN6lh
Name 2-tert-Butyl-5-isopropyl-6-methyl-1,3-dioxan-4-one
Alternate Name(s) 2-t-Butyl-5-isopropyl-6-methyl[1,3]dioxan-4-one 2-tert-Butyl-6-methyl-5-propan-2-yl-1,3-dioxan-4-one
CAS Registry Number 129287-66-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O3
InChI InChI=1S/C12H22O3/c1-7(2)9-8(3)14-11(12(4,5)6)15-10(9)13/h7-9,11H,1-6H3
InChIKey ZNQCVINNEKZFCC-UHFFFAOYSA-N
Molecular Weight 214.305 g/mol
SMILES CC(C1OC(C(C(O1)=O)C(C)C)C)(C)C
SPLASH splash10-02al-9100000000-8b814105a734d0a1e5b3
Source of Spectrum K-123-2424-30
Wiley ID 1213627