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3-Methyl-4-(1H-pyrrol-1-yl)-5-(3-toluidino)thiophene-2-carbonitrile
SpectraBase Compound ID 8MKI0Pu6Uvb
InChI InChI=1S/C17H15N3S/c1-12-6-5-7-14(10-12)19-17-16(20-8-3-4-9-20)13(2)15(11-18)21-17/h3-10,19H,1-2H3
InChIKey MPEMVAYXOPUCBP-UHFFFAOYSA-N
Mol Weight 293.39 g/mol
Molecular Formula C17H15N3S
Exact Mass 293.098669 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5DCc4escbU6
Name 3-Methyl-4-(1H-pyrrol-1-yl)-5-(3-toluidino)thiophene-2-carbonitrile
Appearance Colourless needle-like crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15N3S
InChI InChI=1S/C17H15N3S/c1-12-6-5-7-14(10-12)19-17-16(20-8-3-4-9-20)13(2)15(11-18)21-17/h3-10,19H,1-2H3
InChIKey MPEMVAYXOPUCBP-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800268
Quality 469
SMILES N(C=1SC(=C(C)C1N1C=CC=C1)C#N)C1=CC(=CC=C1)C
SPLASH splash10-0006-3090000000-111cfb32fc2469ba3b0d
Source of Spectrum K1-2018-1961-10f (DOI: 10.1002/ejoc.201800268)
Wiley ID 1891581