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4-[3-(p-Aminophenyl)-3-oxopropenyl][2.2]paracyclophane

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

4-[3-(p-Aminophenyl)-3-oxopropenyl][2.2]paracyclophane
SpectraBase Compound ID DVGsjHH4sw2
InChI InChI=1S/C25H23NO/c26-24-14-11-22(12-15-24)25(27)16-13-23-17-20-6-5-18-1-3-19(4-2-18)7-9-21(23)10-8-20/h1-4,8,10-17H,5-7,9,26H2/b16-13+
InChIKey PJZJBXVOJOHMCR-DTQAZKPQSA-N
Mol Weight 353.47 g/mol
Molecular Formula C25H23NO
Exact Mass 353.177964 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ZPf66qSfyY
Name 4-[3-(p-Aminophenyl)-3-oxopropenyl][2.2]paracyclophane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.177964364 u
Formula C25H23NO
InChI InChI=1S/C25H23NO/c26-24-14-11-22(12-15-24)25(27)16-13-23-17-20-6-5-18-1-3-19(4-2-18)7-9-21(23)10-8-20/h1-4,8,10-17H,5-7,9,26H2/b16-13+
InChIKey PJZJBXVOJOHMCR-DTQAZKPQSA-N
Molecular Weight 353.465 g/mol
SMILES C(\C=C\C=1C=2CCC=3C=CC(CCC(C1)=CC2)=CC3)(C=1C=CC(=CC1)N)=O