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Benzonitrile, 4-(4-butylcyclohexanoyl)phenyl-

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

Benzonitrile, 4-(4-butylcyclohexanoyl)phenyl-
SpectraBase Compound ID HbTC0fFT5FF
InChI InChI=1S/C24H27NO/c1-2-3-4-18-5-11-22(12-6-18)24(26)23-15-13-21(14-16-23)20-9-7-19(17-25)8-10-20/h7-10,13-16,18,22H,2-6,11-12H2,1H3
InChIKey KJJHBAQPJUVVCD-UHFFFAOYSA-N
Mol Weight 345.49 g/mol
Molecular Formula C24H27NO
Exact Mass 345.209264 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ALYKlQ3fXxd
Name Benzonitrile, 4-(4-butylcyclohexanoyl)phenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 345.209264492 u
Formula C24H27NO
InChI InChI=1S/C24H27NO/c1-2-3-4-18-5-11-22(12-6-18)24(26)23-15-13-21(14-16-23)20-9-7-19(17-25)8-10-20/h7-10,13-16,18,22H,2-6,11-12H2,1H3
InChIKey KJJHBAQPJUVVCD-UHFFFAOYSA-N
Molecular Weight 345.486 g/mol
SMILES C1(=CC=C(C=C1)C#N)C1=CC=C(C=C1)C(C1CCC(CCCC)CC1)=O