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1H-imidazole-1-propanoic acid, 2,3-dihydro-3-methyl-2-thioxo-, cyanomethyl ester
SpectraBase Compound ID AXLEBERZH9N
InChI InChI=1S/C9H11N3O2S/c1-11-5-6-12(9(11)15)4-2-8(13)14-7-3-10/h5-6H,2,4,7H2,1H3
InChIKey GORMBKAUPFVONV-UHFFFAOYSA-N
Mol Weight 225.27 g/mol
Molecular Formula C9H11N3O2S
Exact Mass 225.057198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GbBGeoaVLqF
Name 1H-imidazole-1-propanoic acid, 2,3-dihydro-3-methyl-2-thioxo-, cyanomethyl ester
Alternate Name(s) Cyanomethyl 3-(3-methyl-2-thioxo-2,3-dihydro-1H-imidazol-1-yl)propanoate 3-(3-Methyl-2-sulfanylidene-1-imidazolyl)propanoic acid cyanomethyl ester Cyanomethyl 3-(3-methyl-2-sulfanylideneimidazol-1-yl)propanoate Cyanomethyl 3-(3-methyl-2-thioxo-imidazol-1-yl)propanoate Cyanomethyl 3-(3-methyl-2-sulfanylidene-imidazol-1-yl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11N3O2S
InChI InChI=1S/C9H11N3O2S/c1-11-5-6-12(9(11)15)4-2-8(13)14-7-3-10/h5-6H,2,4,7H2,1H3
InChIKey GORMBKAUPFVONV-UHFFFAOYSA-N
Molecular Weight 225.266 g/mol
SMILES CN1C=CN(CCC(=O)OCC#N)C1=S
SPLASH splash10-01r6-5930000000-f593e9c984a9b355f5d2
Source of Spectrum JX-2015-0-662
Wiley ID 1720573