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1(N)-Methyl-4-[4'-(m-chlorophenyl)-3',5'-dioxo-(1,2,4)-perhydrotetrazol-1'-yl]-2H-1,3-pyrimidin-2-one
SpectraBase Compound ID ERgFTsaVnAf
InChI InChI=1S/C13H10ClN5O3/c1-17-6-5-10(15-11(17)20)19-13(22)18(12(21)16-19)9-4-2-3-8(14)7-9/h2-7H,1H3,(H,16,21)
InChIKey WPHYUWYFCZACTL-UHFFFAOYSA-N
Mol Weight 319.71 g/mol
Molecular Formula C13H10ClN5O3
Exact Mass 319.047217 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BngkRkx12Dw
Name 1(N)-Methyl-4-[4'-(m-chlorophenyl)-3',5'-dioxo-(1,2,4)-perhydrotetrazol-1'-yl]-2H-1,3-pyrimidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10ClN5O3
InChI InChI=1S/C13H10ClN5O3/c1-17-6-5-10(15-11(17)20)19-13(22)18(12(21)16-19)9-4-2-3-8(14)7-9/h2-7H,1H3,(H,16,21)
InChIKey WPHYUWYFCZACTL-UHFFFAOYSA-N
Molecular Weight 319.708 g/mol
SMILES N1N(C(N(C1=O)c1cc(Cl)ccc1)=O)C1=NC(=O)N(C=C1)C
SPLASH splash10-014i-0900000000-4f8e3a08db40c9e3fb4b
Source of Spectrum OL-2-584-19
Synonyms 4-[1'-(m-Chlorophenyl)-2',5'-dioxo-(1',3',4')-(perhydro)triazol-1'-yl]1-methyl-1,2-dihydro-(1,3)-pyrimidin-2-one
Wiley ID 1547483