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1,3-Diaza-2-imino-5-ethyl-5-phenyl-cyclohexane-4,6-dione
SpectraBase Compound ID 9VkuVlkGBI3
InChI InChI=1S/C12H13N3O2/c1-2-12(8-6-4-3-5-7-8)9(16)14-11(13)15-10(12)17/h3-7H,2H2,1H3,(H3,13,14,15,16,17)
InChIKey JNIQFZNIZYVPIO-UHFFFAOYSA-N
Mol Weight 231.25 g/mol
Molecular Formula C12H13N3O2
Exact Mass 231.100777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JnVm8sNnDuL
Name 1,3-Diaza-2-imino-5-ethyl-5-phenyl-cyclohexane-4,6-dione
Alternate Name(s) 5-Ethyl-2-imino-5-phenyldihydro-4,6(1H,5H)-pyrimidinedione 2-Amino-5-ethyl-5-phenyl-1H-pyrimidine-4,6-dione 2-Azanyl-5-ethyl-5-phenyl-1H-pyrimidine-4,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N3O2
InChI InChI=1S/C12H13N3O2/c1-2-12(8-6-4-3-5-7-8)9(16)14-11(13)15-10(12)17/h3-7H,2H2,1H3,(H3,13,14,15,16,17)
InChIKey JNIQFZNIZYVPIO-UHFFFAOYSA-N
Molecular Weight 231.255 g/mol
SMILES N1C(C(C(NC1=N)=O)(c1ccccc1)CC)=O
SPLASH splash10-0006-0900000000-140e2e29d204f433239b
Source of Spectrum HC-14-670-0
Wiley ID 1232670