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Ethyl 3-(4-methylphenyl)-4-formyl-5-(methylsulfanyl)-1H-pyrrole-2-carboxylate
SpectraBase Compound ID KkrOpgsc9JQ
InChI InChI=1S/C16H17NO3S/c1-4-20-16(19)14-13(11-7-5-10(2)6-8-11)12(9-18)15(17-14)21-3/h5-9,17H,4H2,1-3H3
InChIKey XPYRJYPVAYFYQC-UHFFFAOYSA-N
Mol Weight 303.38 g/mol
Molecular Formula C16H17NO3S
Exact Mass 303.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CFH8pDAcLy
Name Ethyl 3-(4-methylphenyl)-4-formyl-5-(methylsulfanyl)-1H-pyrrole-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO3S
InChI InChI=1S/C16H17NO3S/c1-4-20-16(19)14-13(11-7-5-10(2)6-8-11)12(9-18)15(17-14)21-3/h5-9,17H,4H2,1-3H3
InChIKey XPYRJYPVAYFYQC-UHFFFAOYSA-N
Molecular Weight 303.376 g/mol
SMILES [nH]1c(c(c(c1C(=O)OCC)-c1ccc(cc1)C)C=O)SC
SPLASH splash10-0udi-0349000000-9d37b5bbc17eb3906102
Source of Spectrum F-62-1714-5
Synonyms Ethyl 4-formyl-3-(4-methylphenyl)-5-(methylsulfanyl)-1H-pyrrole-2-carboxylate
Wiley ID 1632261