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XEILJYOCZUEMTP-NTMALXAHSA-N
SpectraBase Compound ID 9tHe2H6zgVy
InChI InChI=1S/C12H17N3O3/c1-4-18-12(17)8(6-13)10-14-9(5-7(2)3)11(16)15-10/h7,9,14H,4-5H2,1-3H3,(H,15,16)/b10-8-
InChIKey XEILJYOCZUEMTP-NTMALXAHSA-N
Mol Weight 251.29 g/mol
Molecular Formula C12H17N3O3
Exact Mass 251.126991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DWDv2DXAJaH
Name (rac)-[ethyl 2-cyano-2-{4-oxo-5-(isopropyl)methyl-2-imidazolidinylidene}acetate]
CAS Registry Number 127855-64-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17N3O3
InChI InChI=1S/C12H17N3O3/c1-4-18-12(17)8(6-13)10-14-9(5-7(2)3)11(16)15-10/h7,9,14H,4-5H2,1-3H3,(H,15,16)/b10-8-
InChIKey XEILJYOCZUEMTP-NTMALXAHSA-N
Molecular Weight 251.286 g/mol
SMILES N1C(C(N\C1=C/(C(=O)OCC)C#N)CC(C)C)=O
SPLASH splash10-0udj-0790000000-ae925c674665b5d47fbd
Source of Spectrum K-123-2206-6
Synonyms Ethyl (2Z)-cyano(4-isobutyl-5-oxo-2-imidazolidinylidene)ethanoate
Wiley ID 1254422