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butyl (2E)-3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2-propenoate

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butyl (2E)-3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2-propenoate
SpectraBase Compound ID A7IqMGc8HAS
InChI InChI=1S/C12H16N2O4/c1-3-4-7-18-10(15)6-5-9-8(2)13-12(17)14-11(9)16/h5-6H,3-4,7H2,1-2H3,(H2,13,14,16,17)/b6-5+
InChIKey QTGNWWGZSLWXMQ-AATRIKPKSA-N
Mol Weight 252.27 g/mol
Molecular Formula C12H16N2O4
Exact Mass 252.111007 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JlVk6qJHOv8
Name Butyl (2E)-3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2-propenoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.111006999 u
Formula C12H16N2O4
InChI InChI=1S/C12H16N2O4/c1-3-4-7-18-10(15)6-5-9-8(2)13-12(17)14-11(9)16/h5-6H,3-4,7H2,1-2H3,(H2,13,14,16,17)/b6-5+
InChIKey QTGNWWGZSLWXMQ-AATRIKPKSA-N
Molecular Weight 252.270 g/mol
SMILES N1C(NC(=C(C1=O)\C=C\C(=O)OCCCC)C)=O