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Heptanedioic acid, 4,4-dimethyl-, dimethyl ester
SpectraBase Compound ID 5AE0Cy4NI0c
InChI InChI=1S/C11H20O4/c1-11(2,7-5-9(12)14-3)8-6-10(13)15-4/h5-8H2,1-4H3
InChIKey FGULTYTXAJHZMS-UHFFFAOYSA-N
Mol Weight 216.28 g/mol
Molecular Formula C11H20O4
Exact Mass 216.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ok4zEXCq
Name Heptanedioic acid, 4,4-dimethyl-, dimethyl ester
Alternate Name(s) Dimethyl 4,4-dimethylheptanedioate 4,4-Dimethylheptanedioic acid dimethyl ester 4,4-Dimethylpimelic acid dimethyl ester Dimethyl 4,4-dimethylpimelate
CAS Registry Number 54815-28-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O4
InChI InChI=1S/C11H20O4/c1-11(2,7-5-9(12)14-3)8-6-10(13)15-4/h5-8H2,1-4H3
InChIKey FGULTYTXAJHZMS-UHFFFAOYSA-N
Molecular Weight 216.277 g/mol
SMILES C(C(CCC(OC)=O)(C)C)CC(OC)=O
SPLASH splash10-00os-9600000000-129628d75a7e76bc4a6e
Source of Spectrum AA-0-1539-2
Wiley ID 27332