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1-Methyl-2-[(4'-methylbenzoyl)(propionyl)methylene)]-hexahydropyrimidine

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

1-Methyl-2-[(4'-methylbenzoyl)(propionyl)methylene)]-hexahydropyrimidine
SpectraBase Compound ID 8xkP9uN2eQe
InChI InChI=1S/C17H22N2O2/c1-4-14(20)15(17-18-10-5-11-19(17)3)16(21)13-8-6-12(2)7-9-13/h6-9,18H,4-5,10-11H2,1-3H3/b17-15+
InChIKey MVUDHNJRVKLQNR-BMRADRMJSA-N
Mol Weight 286.37 g/mol
Molecular Formula C17H22N2O2
Exact Mass 286.168128 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6b1BhkViZVb
Name 1-Methyl-2-[(4'-methylbenzoyl)(propionyl)methylene)]-hexahydropyrimidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.168127954 u
Formula C17H22N2O2
InChI InChI=1S/C17H22N2O2/c1-4-14(20)15(17-18-10-5-11-19(17)3)16(21)13-8-6-12(2)7-9-13/h6-9,18H,4-5,10-11H2,1-3H3/b17-15+
InChIKey MVUDHNJRVKLQNR-BMRADRMJSA-N
SMILES C1N(\C(=C\(C(C2=CC=C(C=C2)C)=O)C(=O)CC)NCC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.872813