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(rac)-[methyl 2-cyano-2-{4-oxo-5-(isopropyl)methyl-2-imidazolidinylidene}acetate]
SpectraBase Compound ID 9LSAbNIqWeU
InChI InChI=1S/C11H15N3O3/c1-6(2)4-8-10(15)14-9(13-8)7(5-12)11(16)17-3/h6,8,13H,4H2,1-3H3,(H,14,15)/b9-7+
InChIKey PFDPPEVCZONEST-VQHVLOKHSA-N
Mol Weight 237.26 g/mol
Molecular Formula C11H15N3O3
Exact Mass 237.111341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2t12R0MrTs
Name (rac)-[methyl 2-cyano-2-{4-oxo-5-(isopropyl)methyl-2-imidazolidinylidene}acetate]
Alternate Name(s) Methyl (2E)-cyano(4-isobutyl-5-oxo-2-imidazolidinylidene)ethanoate
CAS Registry Number 127855-63-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15N3O3
InChI InChI=1S/C11H15N3O3/c1-6(2)4-8-10(15)14-9(13-8)7(5-12)11(16)17-3/h6,8,13H,4H2,1-3H3,(H,14,15)/b9-7+
InChIKey PFDPPEVCZONEST-VQHVLOKHSA-N
Molecular Weight 237.259 g/mol
SMILES N1C(C(N\C1=C\(C(=O)OC)C#N)CC(C)C)=O
SPLASH splash10-001a-0950000000-75df423a4fd697d45502
Source of Spectrum K-123-2206-5
Wiley ID 1239381