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3-(4,6-Dimethoxy-[1,3,5]triazin-2-yl)-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one
SpectraBase Compound ID KjE7qprWHFZ
InChI InChI=1S/C16H19N5O3/c1-23-15-17-14(18-16(19-15)24-2)20-7-10-6-11(9-20)12-4-3-5-13(22)21(12)8-10/h3-5,10-11H,6-9H2,1-2H3
InChIKey IFQCYWDDYBCJFG-UHFFFAOYSA-N
Mol Weight 329.36 g/mol
Molecular Formula C16H19N5O3
Exact Mass 329.148789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3NEnod2C3Kn
Name 3-(4,6-Dimethoxy-[1,3,5]triazin-2-yl)-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-A][1,5]diazocin-8-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 329.148789489 u
Formula C16H19N5O3
InChI InChI=1S/C16H19N5O3/c1-23-15-17-14(18-16(19-15)24-2)20-7-10-6-11(9-20)12-4-3-5-13(22)21(12)8-10/h3-5,10-11H,6-9H2,1-2H3
InChIKey IFQCYWDDYBCJFG-UHFFFAOYSA-N
Molecular Weight 329.360 g/mol
SMILES C1(=NC(OC)=NC(OC)=N1)N1CC2C3=CC=CC(N3CC(C1)C2)=O