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Hexanedioic acid, bis(1,3-dimethylbutyl) ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID wHwflDtDNu
Name Hexanedioic acid, bis(1,3-dimethylbutyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.245709571 u
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
SMILES C(OC(CCCCC(OC(CC(C)C)C)=O)=O)(CC(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.973576