2-[2-(4-Formylphenyl)methyl-4,4-dimethyl-2-cyclopenten-1-yl]-1-phenylethanone

SpectraBase Compound ID	40oqmOnRifx
InChI	InChI=1S/C23H24O2/c1-23(2)14-20(12-17-8-10-18(16-24)11-9-17)21(15-23)13-22(25)19-6-4-3-5-7-19/h3-11,14,16,21H,12-13,15H2,1-2H3
InChIKey	XZARSUXWKWJZIN-UHFFFAOYSA-N Google Search
Mol Weight	332.44 g/mol
Molecular Formula	C23H24O2
Exact Mass	332.17763 g/mol

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SpectraBase Spectrum ID	JZtU1LG3QtQ
Name	2-[2-(4-Formylphenyl)methyl-4,4-dimethyl-2-cyclopenten-1-yl]-1-phenylethanone
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	332.177630011 u
Formula	C23H24O2
InChI	InChI=1S/C23H24O2/c1-23(2)14-20(12-17-8-10-18(16-24)11-9-17)21(15-23)13-22(25)19-6-4-3-5-7-19/h3-11,14,16,21H,12-13,15H2,1-2H3
InChIKey	XZARSUXWKWJZIN-UHFFFAOYSA-N
Molecular Weight	332.443 g/mol
SMILES	C1(C=C(CC2=CC=C(C=C2)C=O)C(CC(C=2C=CC=CC2)=O)C1)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR)	0.813183