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 Google Search
Mol Weight	353.47 g/mol
Molecular Formula	C25H23NO
Exact Mass	353.177964 g/mol

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SpectraBase Spectrum ID	CmT98oQ0I8b
Name	4-[3-(p-Aminophenyl)-3-oxopropenyl][2.2]paracyclophane
Comments	Computed using SmartSpectra Model v1.42
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
Spectrum/Structure Validation Score (Vapor Phase IR)	0.842874