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Cyclohexanecarboxylic acid, 4-hexyl-, 4-butoxy-2,3-dicyanophenyl ester

View entire compound with spectra: 1 NMR, and 3 MS (GC)

Cyclohexanecarboxylic acid, 4-hexyl-, 4-butoxy-2,3-dicyanophenyl ester
SpectraBase Compound ID 1dZrpyjKb2b
InChI InChI=1S/C25H34N2O3/c1-3-5-7-8-9-19-10-12-20(13-11-19)25(28)30-24-15-14-23(29-16-6-4-2)21(17-26)22(24)18-27/h14-15,19-20H,3-13,16H2,1-2H3
InChIKey RQCPSHMTMFULKR-UHFFFAOYSA-N
Mol Weight 410.6 g/mol
Molecular Formula C25H34N2O3
Exact Mass 410.256943 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GQ7lyAzKaQ2
Name Cyclohexanecarboxylic acid, 4-hexyl-, 4-butoxy-2,3-dicyanophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.256942960 u
Formula C25H34N2O3
InChI InChI=1S/C25H34N2O3/c1-3-5-7-8-9-19-10-12-20(13-11-19)25(28)30-24-15-14-23(29-16-6-4-2)21(17-26)22(24)18-27/h14-15,19-20H,3-13,16H2,1-2H3
InChIKey RQCPSHMTMFULKR-UHFFFAOYSA-N
Molecular Weight 410.558 g/mol
SMILES C1C(CCC(C1)CCCCCC)C(=O)OC=1C=CC(=C(C#N)C1C#N)OCCCC