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Adipic acid, isohexyl 4-methylpent-2-yl ester

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

Adipic acid, isohexyl 4-methylpent-2-yl ester
SpectraBase Compound ID EmNGLPPgCXZ
InChI InChI=1S/C18H34O4/c1-14(2)9-8-12-21-17(19)10-6-7-11-18(20)22-16(5)13-15(3)4/h14-16H,6-13H2,1-5H3
InChIKey JOAOJJJTRPWSEV-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 9JvOeZkt1iZ
Name Adipic acid, isohexyl 4-methylpent-2-yl 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)9-8-12-21-17(19)10-6-7-11-18(20)22-16(5)13-15(3)4/h14-16H,6-13H2,1-5H3
InChIKey JOAOJJJTRPWSEV-UHFFFAOYSA-N
SMILES C(C(OC(C)CC(C)C)=O)CCCC(OCCCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936934