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3-(4-Cyanophenyl)-6,10-dimethyl-1-phenylundecan-9-en-1,4-dione

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

3-(4-Cyanophenyl)-6,10-dimethyl-1-phenylundecan-9-en-1,4-dione
SpectraBase Compound ID ISBmDXvDigp
InChI InChI=1S/C26H29NO2/c1-19(2)8-7-9-20(3)16-26(29)24(22-14-12-21(18-27)13-15-22)17-25(28)23-10-5-4-6-11-23/h4-6,8,10-15,20,24H,7,9,16-17H2,1-3H3
InChIKey HSGXDCIVBKWSPZ-UHFFFAOYSA-N
Mol Weight 387.52 g/mol
Molecular Formula C26H29NO2
Exact Mass 387.219829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8VWfPlnfc0L
Name 3-(4-Cyanophenyl)-6,10-dimethyl-1-phenylundecan-9-en-1,4-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.219829176 u
Formula C26H29NO2
InChI InChI=1S/C26H29NO2/c1-19(2)8-7-9-20(3)16-26(29)24(22-14-12-21(18-27)13-15-22)17-25(28)23-10-5-4-6-11-23/h4-6,8,10-15,20,24H,7,9,16-17H2,1-3H3
InChIKey HSGXDCIVBKWSPZ-UHFFFAOYSA-N
Molecular Weight 387.523 g/mol
SMILES C(CC(C(CC(CCC=C(C)C)C)=O)C=1C=CC(=CC1)C#N)(=O)C=1C=CC=CC1