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2-(4-Hydroxy-3-methoxybenzylidene)-6-(4-nitrobenzylidene)cyclohexanone

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

2-(4-Hydroxy-3-methoxybenzylidene)-6-(4-nitrobenzylidene)cyclohexanone
SpectraBase Compound ID 3TrMbfcBDqm
InChI InChI=1S/C21H19NO5/c1-27-20-13-15(7-10-19(20)23)12-17-4-2-3-16(21(17)24)11-14-5-8-18(9-6-14)22(25)26/h5-13,23H,2-4H2,1H3/b16-11+,17-12+
InChIKey BZEGKLZRQOUCHF-MAEUFBSDSA-N
Mol Weight 365.39 g/mol
Molecular Formula C21H19NO5
Exact Mass 365.126323 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 11bCa2YVhgF
Name 2-(4-Hydroxy-3-methoxybenzylidene)-6-(4-nitrobenzylidene)cyclohexanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 365.126322711 u
Formula C21H19NO5
InChI InChI=1S/C21H19NO5/c1-27-20-13-15(7-10-19(20)23)12-17-4-2-3-16(21(17)24)11-14-5-8-18(9-6-14)22(25)26/h5-13,23H,2-4H2,1H3/b16-11+,17-12+
InChIKey BZEGKLZRQOUCHF-MAEUFBSDSA-N
Molecular Weight 365.385 g/mol
SMILES C1(\C(CCC\C1=C\C=1C=CC(=CC1)N(=O)=O)=C\C=1C=C(C(=CC1)O)OC)=O