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1-[3,4-Dichlorobenzyl]-3-[4-hydroxy-6-methyl-2-pyrimidinyl]guanidine

View entire compound with spectra: 1 NMR

1-[3,4-Dichlorobenzyl]-3-[4-hydroxy-6-methyl-2-pyrimidinyl]guanidine
SpectraBase Compound ID 7t72JkiytuV
InChI InChI=1S/C13H13Cl2N5O/c1-7-4-11(21)19-13(18-7)20-12(16)17-6-8-2-3-9(14)10(15)5-8/h2-5H,6H2,1H3,(H4,16,17,18,19,20,21)
InChIKey KPMYOAQYQJSIMC-UHFFFAOYSA-N
Mol Weight 326.19 g/mol
Molecular Formula C13H13Cl2N5O
Exact Mass 325.049715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IkVD3VHwFr
Name 1-[3,4-Dichlorobenzyl]-3-[4-hydroxy-6-methyl-2-pyrimidinyl]guanidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 325.049715458 u
Formula C13H13Cl2N5O
InChI InChI=1S/C13H13Cl2N5O/c1-7-4-11(21)19-13(18-7)20-12(16)17-6-8-2-3-9(14)10(15)5-8/h2-5H,6H2,1H3,(H4,16,17,18,19,20,21)
InChIKey KPMYOAQYQJSIMC-UHFFFAOYSA-N
Molecular Weight 326.187 g/mol
SMILES CC1=NC(=NC(O)=C1)NC(=N)NCC=1C=C(C(Cl)=CC1)Cl