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KCRAFXKELBXBQY-AATRIKPKSA-N
SpectraBase Compound ID AY3MyIFqKLg
InChI InChI=1S/C8H9N3O3/c1-4-7(12)11-6(10-4)5(3-9)8(13)14-2/h4,10H,1-2H3,(H,11,12)/b6-5+
InChIKey KCRAFXKELBXBQY-AATRIKPKSA-N
Mol Weight 195.18 g/mol
Molecular Formula C8H9N3O3
Exact Mass 195.064391 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0CQD9yHKoy
Name Methyl 2-cyano-2-(4-oxo-5-methyl-2-imidazolidinylidene)acetate
Alternate Name(s) Methyl (2E)-cyano(4-methyl-5-oxo-2-imidazolidinylidene)ethanoate
CAS Registry Number 127855-59-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9N3O3
InChI InChI=1S/C8H9N3O3/c1-4-7(12)11-6(10-4)5(3-9)8(13)14-2/h4,10H,1-2H3,(H,11,12)/b6-5+
InChIKey KCRAFXKELBXBQY-AATRIKPKSA-N
Molecular Weight 195.178 g/mol
SMILES N1C(C(N\C1=C\(C(=O)OC)C#N)C)=O
SPLASH splash10-0002-0900000000-c45b108e8b16743c4818
Source of Spectrum K-123-2205-5
Wiley ID 1191798