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Glutaric acid, 1-(cyclohex-2-enyl)hex-3-yl 2-ethylhexyl ester

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

Glutaric acid, 1-(cyclohex-2-enyl)hex-3-yl 2-ethylhexyl ester
SpectraBase Compound ID 1QtI8wVSyMo
InChI InChI=1S/C25H44O4/c1-4-7-13-21(6-3)20-28-24(26)16-11-17-25(27)29-23(12-5-2)19-18-22-14-9-8-10-15-22/h9,14,21-23H,4-8,10-13,15-20H2,1-3H3
InChIKey HVPFUGVHBIYVLL-UHFFFAOYSA-N
Mol Weight 408.6 g/mol
Molecular Formula C25H44O4
Exact Mass 408.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IgpRSu1Pugs
Name Glutaric acid, 1-(cyclohex-2-enyl)hex-3-yl 2-ethylhexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.323959893 u
Formula C25H44O4
InChI InChI=1S/C25H44O4/c1-4-7-13-21(6-3)20-28-24(26)16-11-17-25(27)29-23(12-5-2)19-18-22-14-9-8-10-15-22/h9,14,21-23H,4-8,10-13,15-20H2,1-3H3
InChIKey HVPFUGVHBIYVLL-UHFFFAOYSA-N
Molecular Weight 408.623 g/mol
SMILES C(CCC(OCC(CC)CCCC)=O)C(OC(CCC)CCC1C=CCCC1)=O