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1-(4-carbethoxybenzyl)-2-(methylthio)-4H-pyrrol[2,3-d]imidazole-5-carboxylic acid ethyl ester
SpectraBase Compound ID KDS7vArjWZC
InChI InChI=1S/C19H21N3O4S/c1-4-25-17(23)13-8-6-12(7-9-13)11-22-15-10-14(18(24)26-5-2)20-16(15)21-19(22)27-3/h6-10,20H,4-5,11H2,1-3H3
InChIKey WBGCDKPVOZDXOC-UHFFFAOYSA-N
Mol Weight 387.45 g/mol
Molecular Formula C19H21N3O4S
Exact Mass 387.125277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID crhAKs37rv
Name 1-(4-carbethoxybenzyl)-2-(methylthio)-4H-pyrrol[2,3-d]imidazole-5-carboxylic acid ethyl ester
Alternate Name(s) 1-[(4-ethoxycarbonylphenyl)methyl]-2-(methylthio)-4H-pyrrolo[2,3-d]imidazole-5-carboxylic acid ethyl ester Ethyl 1-[(4-ethoxycarbonylphenyl)methyl]-2-methylsulfanyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21N3O4S
InChI InChI=1S/C19H21N3O4S/c1-4-25-17(23)13-8-6-12(7-9-13)11-22-15-10-14(18(24)26-5-2)20-16(15)21-19(22)27-3/h6-10,20H,4-5,11H2,1-3H3
InChIKey WBGCDKPVOZDXOC-UHFFFAOYSA-N
Molecular Weight 387.454 g/mol
SMILES [nH]1c(cc2[n](c(nc12)SC)Cc1ccc(C(=O)OCC)cc1)C(=O)OCC
SPLASH splash10-01y9-0923000000-deb3507d8d234fd8fe6e
Source of Spectrum Y-39-371-7
Wiley ID 1528451