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3-(4-Chlorophenyl)-4-formyl-5-(methylthio)-1H-pyrrole-2-carboxylic acid ethyl ester
SpectraBase Compound ID Dq0mQYKmZHo
InChI InChI=1S/C15H14ClNO3S/c1-3-20-15(19)13-12(9-4-6-10(16)7-5-9)11(8-18)14(17-13)21-2/h4-8,17H,3H2,1-2H3
InChIKey LNSLGHBTEVTBDZ-UHFFFAOYSA-N
Mol Weight 323.79 g/mol
Molecular Formula C15H14ClNO3S
Exact Mass 323.038292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ft9xp26v7I
Name 3-(4-Chlorophenyl)-4-formyl-5-(methylthio)-1H-pyrrole-2-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14ClNO3S
InChI InChI=1S/C15H14ClNO3S/c1-3-20-15(19)13-12(9-4-6-10(16)7-5-9)11(8-18)14(17-13)21-2/h4-8,17H,3H2,1-2H3
InChIKey LNSLGHBTEVTBDZ-UHFFFAOYSA-N
Molecular Weight 323.794 g/mol
SMILES [nH]1c(c(c(c1C(=O)OCC)-c1ccc(cc1)Cl)C=O)SC
SPLASH splash10-00fr-0159000000-99e4956eca6b0b39e585
Source of Spectrum F-62-1714-5
Synonyms Ethyl 3-(4-chlorophenyl)-4-methanoyl-5-methylsulfanyl-1H-pyrrole-2-carboxylate
Wiley ID 1632262