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2-Butyl-6-isopropyl-3H-pyrimidin-4-one

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

2-Butyl-6-isopropyl-3H-pyrimidin-4-one
SpectraBase Compound ID GOvofjoEPtP
InChI InChI=1S/C11H18N2O/c1-4-5-6-10-12-9(8(2)3)7-11(14)13-10/h7-8H,4-6H2,1-3H3,(H,12,13,14)
InChIKey WKVFOGLOEQNVPB-UHFFFAOYSA-N
Mol Weight 194.28 g/mol
Molecular Formula C11H18N2O
Exact Mass 194.141913 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2KIa367f2ZR
Name 2-Butyl-6-isopropyl-3H-pyrimidin-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 194.141913207 u
Formula C11H18N2O
InChI InChI=1S/C11H18N2O/c1-4-5-6-10-12-9(8(2)3)7-11(14)13-10/h7-8H,4-6H2,1-3H3,(H,12,13,14)
InChIKey WKVFOGLOEQNVPB-UHFFFAOYSA-N
Molecular Weight 194.278 g/mol
SMILES C=1(N=C(NC(C1)=O)CCCC)C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95346