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4-Pentylbenzoic acid, 6-(4-cyanophenyl)naphthalen-2-yl ester

View entire compound with spectra: 1 NMR, and 2 MS (GC)

4-Pentylbenzoic acid, 6-(4-cyanophenyl)naphthalen-2-yl ester
SpectraBase Compound ID 4VWZo1VdLC0
InChI InChI=1S/C29H25NO2/c1-2-3-4-5-21-6-12-24(13-7-21)29(31)32-28-17-16-26-18-25(14-15-27(26)19-28)23-10-8-22(20-30)9-11-23/h6-19H,2-5H2,1H3
InChIKey AXNXCPMVRJBPOP-UHFFFAOYSA-N
Mol Weight 419.52 g/mol
Molecular Formula C29H25NO2
Exact Mass 419.188529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BaGB396unRK
Name 4-Pentylbenzoic acid, 6-(4-cyanophenyl)naphthalen-2-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.188529047 u
Formula C29H25NO2
InChI InChI=1S/C29H25NO2/c1-2-3-4-5-21-6-12-24(13-7-21)29(31)32-28-17-16-26-18-25(14-15-27(26)19-28)23-10-8-22(20-30)9-11-23/h6-19H,2-5H2,1H3
InChIKey AXNXCPMVRJBPOP-UHFFFAOYSA-N
Molecular Weight 419.524 g/mol
SMILES CCCCCC1=CC=C(C(OC2=CC3=CC=C(C4=CC=C(C#N)C=C4)C=C3C=C2)=O)C=C1