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5-Anilino-3-methyl-4-(1H-pyrrol-1-yl)thiophene-2-carbonitrile
SpectraBase Compound ID 29BfeoOfCu3
InChI InChI=1S/C16H13N3S/c1-12-14(11-17)20-16(15(12)19-9-5-6-10-19)18-13-7-3-2-4-8-13/h2-10,18H,1H3
InChIKey ZPPMFWVLPIKPJG-UHFFFAOYSA-N
Mol Weight 279.36 g/mol
Molecular Formula C16H13N3S
Exact Mass 279.083019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jh9M6uaBrGM
Name 5-Anilino-3-methyl-4-(1H-pyrrol-1-yl)thiophene-2-carbonitrile
Appearance Colourless needle-like crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.083018605 u
Formula C16H13N3S
InChI InChI=1S/C16H13N3S/c1-12-14(11-17)20-16(15(12)19-9-5-6-10-19)18-13-7-3-2-4-8-13/h2-10,18H,1H3
InChIKey ZPPMFWVLPIKPJG-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800268
Molecular Weight 279.361 g/mol
Quality 520
SMILES N(C1=CC=CC=C1)C1=C(C(=C(S1)C#N)C)N1C=CC=C1
SPLASH splash10-004i-5190000000-9282f8f7af9bb5280ee3
Source of Spectrum K1-2018-1961-10e (DOI: 10.1002/ejoc.201800268)
Wiley ID 1891580