2-Butanoyl-3-[2-(3,4-diethoxyphenyl)ethylamino]-5-phenyl-cyclohex-2-en-1-one

SpectraBase Compound ID	G0I5bNZPgst
InChI	InChI=1S/C28H35NO4/c1-4-10-24(30)28-23(18-22(19-25(28)31)21-11-8-7-9-12-21)29-16-15-20-13-14-26(32-5-2)27(17-20)33-6-3/h7-9,11-14,17,22,29H,4-6,10,15-16,18-19H2,1-3H3
InChIKey	RBAJGAYYGOVLAB-UHFFFAOYSA-N Google Search
Mol Weight	449.6 g/mol
Molecular Formula	C28H35NO4
Exact Mass	449.256609 g/mol

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SpectraBase Spectrum ID	9Onduehn3WB
Name	2-Butanoyl-3-[2-(3,4-diethoxyphenyl)ethylamino]-5-phenyl-cyclohex-2-en-1-one
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	449.256608607 u
Formula	C28H35NO4
InChI	InChI=1S/C28H35NO4/c1-4-10-24(30)28-23(18-22(19-25(28)31)21-11-8-7-9-12-21)29-16-15-20-13-14-26(32-5-2)27(17-20)33-6-3/h7-9,11-14,17,22,29H,4-6,10,15-16,18-19H2,1-3H3
InChIKey	RBAJGAYYGOVLAB-UHFFFAOYSA-N
Molecular Weight	449.591 g/mol
SMILES	C1(=C(CC(CC1=O)C=1C=CC=CC1)NCCC=1C=C(OCC)C(=CC1)OCC)C(=O)CCC