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Adipic acid, 3,3-dimethylbut-2-yl isohexyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Adipic acid, 3,3-dimethylbut-2-yl isohexyl ester
SpectraBase Compound ID EEWkN1C8WCK
InChI InChI=1S/C18H34O4/c1-14(2)10-9-13-21-16(19)11-7-8-12-17(20)22-15(3)18(4,5)6/h14-15H,7-13H2,1-6H3
InChIKey RFVLBVSYMCBNMY-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 FkhZsjotzoc
Name Adipic acid, 3,3-dimethylbut-2-yl isohexyl 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/c1-14(2)10-9-13-21-16(19)11-7-8-12-17(20)22-15(3)18(4,5)6/h14-15H,7-13H2,1-6H3
InChIKey RFVLBVSYMCBNMY-UHFFFAOYSA-N
SMILES C(OC(C(C)(C)C)C)(CCCCC(OCCCC(C)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.871154