N-[2-[2-[2-(3,4-dimethoxyphenyl)ethynyl]-4,5-dimethoxy-phenyl]ethyl]-2,2,2-trifluoro-acetamide

SpectraBase Compound ID	9nUTdNvd4Iw
InChI	InChI=1S/C22H22F3NO5/c1-28-17-8-6-14(11-18(17)29-2)5-7-15-12-19(30-3)20(31-4)13-16(15)9-10-26-21(27)22(23,24)25/h6,8,11-13H,9-10H2,1-4H3,(H,26,27)
InChIKey	ZMEQORPPYGPHTK-UHFFFAOYSA-N Google Search
Mol Weight	437.42 g/mol
Molecular Formula	C22H22F3NO5
Exact Mass	437.145007 g/mol

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SpectraBase Spectrum ID	1qz21jbkV9s
Name	N-[2-[2-[2-(3,4-Dimethoxyphenyl)ethynyl]-4,5-dimethoxy-phenyl]ethyl]-2,2,2-trifluoro-acetamide
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	437.145007296 u
Formula	C22H22F3NO5
InChI	InChI=1S/C22H22F3NO5/c1-28-17-8-6-14(11-18(17)29-2)5-7-15-12-19(30-3)20(31-4)13-16(15)9-10-26-21(27)22(23,24)25/h6,8,11-13H,9-10H2,1-4H3,(H,26,27)
InChIKey	ZMEQORPPYGPHTK-UHFFFAOYSA-N
Molecular Weight	437.415 g/mol
SMILES	C(C(=O)NCCC1=C(C#CC=2C=C(OC)C(=CC2)OC)C=C(C(=C1)OC)OC)(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR)	0.932369