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Hexanedioic acid, bis(1,3-dimethylbutyl) ester
SpectraBase Compound ID 5qTblusBUQI
InChI InChI=1S/C18H34O4/c1-13(2)11-15(5)21-17(19)9-7-8-10-18(20)22-16(6)12-14(3)4/h13-16H,7-12H2,1-6H3
InChIKey LYHRWRRIMHVFFZ-UHFFFAOYSA-N
Mol Weight 314.5 g/mol
Molecular Formula C18H34O4
Exact Mass 314.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ElCgcY03dgi
Name Hexanedioic acid, bis(1,3-dimethylbutyl) ester
CAS Registry Number 55125-22-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H34O4
InChI InChI=1S/C18H34O4/c1-13(2)11-15(5)21-17(19)9-7-8-10-18(20)22-16(6)12-14(3)4/h13-16H,7-12H2,1-6H3
InChIKey LYHRWRRIMHVFFZ-UHFFFAOYSA-N
Molecular Weight 314.466 g/mol
SMILES C(OC(CCCCC(OC(CC(C)C)C)=O)=O)(CC(C)C)C
SPLASH splash10-004i-6910000000-24168ffe2a50eeb1979a
Source of Spectrum AA-0-1930-1
Synonyms Bis(1,3-dimethylbutyl) hexanedioate Bis(1,3-dimethylbutyl) adipate Adipic acid bis(1,3-dimethylbutyl) ester Bis(4-methylpentan-2-yl) hexanedioate Hexanedioic acid bis(4-methylpentan-2-yl) ester Adipic acid, bis(1,3-dimethylbutyl) ester Bis(4-methylpentan-2-yl) adipate
Wiley ID 46829