1-Methyl-2-[(benzoyl)(propionyl)methylene)]-hexahydropyrimidine

SpectraBase Compound ID	5gIRrCGndqy
InChI	InChI=1S/C16H20N2O2/c1-3-13(19)14(16-17-10-7-11-18(16)2)15(20)12-8-5-4-6-9-12/h4-6,8-9,17H,3,7,10-11H2,1-2H3/b16-14+
InChIKey	DWKRHRSTHFGWKC-JQIJEIRASA-N Google Search
Mol Weight	272.35 g/mol
Molecular Formula	C16H20N2O2
Exact Mass	272.152478 g/mol

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SpectraBase Spectrum ID	1pQXvaR0OuI
Name	1-Methyl-2-[(benzoyl)(propionyl)methylene)]-hexahydropyrimidine
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	272.152477890 u
Formula	C16H20N2O2
InChI	InChI=1S/C16H20N2O2/c1-3-13(19)14(16-17-10-7-11-18(16)2)15(20)12-8-5-4-6-9-12/h4-6,8-9,17H,3,7,10-11H2,1-2H3/b16-14+
InChIKey	DWKRHRSTHFGWKC-JQIJEIRASA-N
Molecular Weight	272.348 g/mol
SMILES	C1N(\C(=C\(C(=O)C=2C=CC=CC2)C(=O)CC)NCC1)C
Spectrum/Structure Validation Score (Vapor Phase IR)	0.963559