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2-ethyl-N-[(1-ethyl-2-pyrrolidinyl)methyl]-4-methoxy-5-pyrimidinecarboxamide, fumarate (1:1)
SpectraBase Compound ID CmFU2V01biq
InChI InChI=1S/C15H24N4O2.C4H4O4/c1-4-13-16-10-12(15(18-13)21-3)14(20)17-9-11-7-6-8-19(11)5-2;5-3(6)1-2-4(7)8/h10-11H,4-9H2,1-3H3,(H,17,20);1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey FADPZIIQWPCUPG-WLHGVMLRSA-N
Mol Weight 408.45 g/mol
Molecular Formula C19H28N4O6
Exact Mass 408.200885 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AFsW5mQpAxB
Name 2-Ethyl-N-[(1-ethyl-2-pyrrolidinyl)methyl]-4-methoxy-5-pyrimidinecarboxamide, fumarate (1:1)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.200884632 u
Formula C19H28N4O6
InChI InChI=1S/C15H24N4O2.C4H4O4/c1-4-13-16-10-12(15(18-13)21-3)14(20)17-9-11-7-6-8-19(11)5-2;5-3(6)1-2-4(7)8/h10-11H,4-9H2,1-3H3,(H,17,20);1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey FADPZIIQWPCUPG-WLHGVMLRSA-N
Molecular Weight 408.455 g/mol
SMILES OC(\C=C\C(O)=O)=O.N(C(C1=CN=C(N=C1OC)CC)=O)CC1N(CCC1)CC