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2-(ethylthio)-1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylic acid ethyl ester
SpectraBase Compound ID 8khME9I6UnL
InChI InChI=1S/C11H15N3O2S/c1-4-16-10(15)7-6-8-9(12-7)13-11(14(8)3)17-5-2/h6,12H,4-5H2,1-3H3
InChIKey QYQAHQWTBYSXJQ-UHFFFAOYSA-N
Mol Weight 253.32 g/mol
Molecular Formula C11H15N3O2S
Exact Mass 253.088498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LhGwuuSKQ3H
Name 2-(ethylthio)-1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15N3O2S
InChI InChI=1S/C11H15N3O2S/c1-4-16-10(15)7-6-8-9(12-7)13-11(14(8)3)17-5-2/h6,12H,4-5H2,1-3H3
InChIKey QYQAHQWTBYSXJQ-UHFFFAOYSA-N
Molecular Weight 253.320 g/mol
SMILES [nH]1c(cc2[n](c(nc12)SCC)C)C(=O)OCC
SPLASH splash10-0umi-0590000000-df7e4fdb709836d9516b
Source of Spectrum Y-34-550-5
Synonyms 2-(ethylthio)-1-methyl-4H-pyrrol[2,3-d]imidazole-5-carboxylic acid ethyl ester Ethyl 2-ethylsulfanyl-1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate
Wiley ID 1256598