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Dimethyl 4,4-diacetylheptanedioate
SpectraBase Compound ID 9b2ooD011li
InChI InChI=1S/C13H20O6/c1-9(14)13(10(2)15,7-5-11(16)18-3)8-6-12(17)19-4/h5-8H2,1-4H3
InChIKey TWNIDYQXIMXRSZ-UHFFFAOYSA-N
Mol Weight 272.3 g/mol
Molecular Formula C13H20O6
Exact Mass 272.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DQ5dPij8kqp
Name Dimethyl 4,4-diacetylheptanedioate
Alternate Name(s) 4,4-Diacetylheptanedioic acid dimethyl ester 4,4-Diacetylpimelic acid dimethyl ester Dimethyl 4,4-diethanoylheptanedioate Heptanedioic acid, 4,4-diacetyl-, dimethyl ester
CAS Registry Number 13984-59-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O6
InChI InChI=1S/C13H20O6/c1-9(14)13(10(2)15,7-5-11(16)18-3)8-6-12(17)19-4/h5-8H2,1-4H3
InChIKey TWNIDYQXIMXRSZ-UHFFFAOYSA-N
Molecular Weight 272.297 g/mol
SMILES C(CCC(=O)OC)(CCC(=O)OC)(C(=O)C)C(=O)C
SPLASH splash10-0006-9400000000-ead90062cf74b902a1b5
Source of Spectrum AD-0-2532-0
Wiley ID 1419228