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Heptanedioic acid, 4,4-dimethyl-, diethyl ester
SpectraBase Compound ID KbTapru2YHZ
InChI InChI=1S/C13H24O4/c1-5-16-11(14)7-9-13(3,4)10-8-12(15)17-6-2/h5-10H2,1-4H3
InChIKey LMPYRKAOINYIRA-UHFFFAOYSA-N
Mol Weight 244.33 g/mol
Molecular Formula C13H24O4
Exact Mass 244.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JQqcmRjGfTg
Name Heptanedioic acid, 4,4-dimethyl-, diethyl ester
Alternate Name(s) Diethyl 4,4-dimethylheptanedioate 4,4-Dimethylheptanedioic acid diethyl ester 4,4-Dimethylpimelic acid diethyl ester
CAS Registry Number 55134-05-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O4
InChI InChI=1S/C13H24O4/c1-5-16-11(14)7-9-13(3,4)10-8-12(15)17-6-2/h5-10H2,1-4H3
InChIKey LMPYRKAOINYIRA-UHFFFAOYSA-N
Molecular Weight 244.331 g/mol
SMILES C(C(CCC(OCC)=O)(C)C)CC(OCC)=O
SPLASH splash10-014m-9600000000-24fdfc880e0d8ec3f95a
Source of Spectrum AA-0-1719-1
Wiley ID 33808