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Ethyl 5-(4-Chloroanilino)-3-methyl-4-(1H-pyrrol-1-yl)thiophene-2-carboxylate
SpectraBase Compound ID Ds3a9ynt1H9
InChI InChI=1S/C18H17ClN2O2S/c1-3-23-18(22)16-12(2)15(21-10-4-5-11-21)17(24-16)20-14-8-6-13(19)7-9-14/h4-11,20H,3H2,1-2H3
InChIKey QIWPKEZMHUXKMA-UHFFFAOYSA-N
Mol Weight 360.86 g/mol
Molecular Formula C18H17ClN2O2S
Exact Mass 360.069927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 71THOrM0LZG
Name Ethyl 5-(4-Chloroanilino)-3-methyl-4-(1H-pyrrol-1-yl)thiophene-2-carboxylate
Appearance Yellow needle-like crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.069926667 u
Formula C18H17ClN2O2S
InChI InChI=1S/C18H17ClN2O2S/c1-3-23-18(22)16-12(2)15(21-10-4-5-11-21)17(24-16)20-14-8-6-13(19)7-9-14/h4-11,20H,3H2,1-2H3
InChIKey QIWPKEZMHUXKMA-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800268
Molecular Weight 360.859 g/mol
Quality 772
SMILES N(C=1SC(C(OCC)=O)=C(C1N1C=CC=C1)C)C1=CC=C(C=C1)Cl
SPLASH splash10-03di-6429000000-6ef04a3263844142635d
Source of Spectrum K1-2018-1960-6i (DOI: 10.1002/ejoc.201800268)
Wiley ID 1891593