5-[1'-Ethoxycarbonyl-4' (1H)-pyridylidene]-2-ethyl-2-phenyl-1,3-dioxane-4,6-dione

SpectraBase Compound ID	LlDFVMbngFF
InChI	InChI=1S/C20H19NO6/c1-3-20(15-8-6-5-7-9-15)26-17(22)16(18(23)27-20)14-10-12-21(13-11-14)19(24)25-4-2/h5-13H,3-4H2,1-2H3
InChIKey	CAXXVUGTAAASCS-UHFFFAOYSA-N Google Search
Mol Weight	369.37 g/mol
Molecular Formula	C20H19NO6
Exact Mass	369.121237 g/mol

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SpectraBase Spectrum ID	8gQhmgOYNWO
Name	5-[1'-Ethoxycarbonyl-4' (1H)-pyridylidene]-2-ethyl-2-phenyl-1,3-dioxane-4,6-dione
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	369.121237330 u
Formula	C20H19NO6
InChI	InChI=1S/C20H19NO6/c1-3-20(15-8-6-5-7-9-15)26-17(22)16(18(23)27-20)14-10-12-21(13-11-14)19(24)25-4-2/h5-13H,3-4H2,1-2H3
InChIKey	CAXXVUGTAAASCS-UHFFFAOYSA-N
Molecular Weight	369.373 g/mol
SMILES	C1(C(OC(OC1=O)(C=1C=CC=CC1)CC)=O)=C1C=CN(C=C1)C(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.97399