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5-Allyloxy-3-(4-chlorophenyl)-6-phenyl-3,6-dihydro-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one
SpectraBase Compound ID 1rIog4ybLwp
InChI InChI=1S/C19H14ClN5O2/c1-2-12-27-19-21-17-16(18(26)24(19)14-6-4-3-5-7-14)22-23-25(17)15-10-8-13(20)9-11-15/h2-11H,1,12H2
InChIKey DLJVRVPPJMLHNA-UHFFFAOYSA-N
Mol Weight 379.81 g/mol
Molecular Formula C19H14ClN5O2
Exact Mass 379.083602 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LOP07mSHAFL
Name 5-Allyloxy-3-(4-chlorophenyl)-6-phenyl-3,6-dihydro-7H-1,2,3-triazolo[4,5-D]pyrimidin-7-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 379.083602409 u
Formula C19H14ClN5O2
InChI InChI=1S/C19H14ClN5O2/c1-2-12-27-19-21-17-16(18(26)24(19)14-6-4-3-5-7-14)22-23-25(17)15-10-8-13(20)9-11-15/h2-11H,1,12H2
InChIKey DLJVRVPPJMLHNA-UHFFFAOYSA-N
Molecular Weight 379.807 g/mol
SMILES C1(=NC2=C(C(N1C=1C=CC=CC1)=O)N=NN2C=1C=CC(=CC1)Cl)OCC=C