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Dimethyl 2,4-dimethylheptanedioate
SpectraBase Compound ID FoOuLrIJmKr
InChI InChI=1S/C11H20O4/c1-8(5-6-10(12)14-3)7-9(2)11(13)15-4/h8-9H,5-7H2,1-4H3
InChIKey TZCQHHKPFVFJGT-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 5yquKcjTF2J
Name Dimethyl 2,4-dimethylheptanedioate
Alternate Name(s) (2S,4S)-2,4-Dimethylheptanedioic acid dimethyl ester 2,4-Dimethylheptanedioic acid dimethyl ester 2,4-Dimethylpimelic acid dimethyl ester Heptanedioic acid, 2,4-dimethyl-, dimethyl ester
CAS Registry Number 85611-45-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O4
InChI InChI=1S/C11H20O4/c1-8(5-6-10(12)14-3)7-9(2)11(13)15-4/h8-9H,5-7H2,1-4H3
InChIKey TZCQHHKPFVFJGT-UHFFFAOYSA-N
Molecular Weight 216.277 g/mol
SMILES COC(=O)C(C)CC(CCC(=O)OC)C
SPLASH splash10-06rx-9600000000-965b6a9c52c083a13802
Source of Spectrum HE-1986-2079-0
Wiley ID 1215317