For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID ElCgcY03dgi
Name Hexanedioic acid, bis(1,3-dimethylbutyl) ester
Alternate Name(s) 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
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
Wiley ID 46829