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3-Methyl-5-(methylamino)-4-(1H-pyrrol-1-yl)thiophene-2-carbonitrile
SpectraBase Compound ID 1PjDEz66jzI
InChI InChI=1S/C11H11N3S/c1-8-9(7-12)15-11(13-2)10(8)14-5-3-4-6-14/h3-6,13H,1-2H3
InChIKey RCRKGYWZQAYCBN-UHFFFAOYSA-N
Mol Weight 217.29 g/mol
Molecular Formula C11H11N3S
Exact Mass 217.067369 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FwPJQxKRSeC
Name 3-Methyl-5-(methylamino)-4-(1H-pyrrol-1-yl)thiophene-2-carbonitrile
Appearance White needle-like crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 217.067368540 u
Formula C11H11N3S
InChI InChI=1S/C11H11N3S/c1-8-9(7-12)15-11(13-2)10(8)14-5-3-4-6-14/h3-6,13H,1-2H3
InChIKey RCRKGYWZQAYCBN-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800268
Molecular Weight 217.290 g/mol
Quality 633
SMILES N(C=1SC(=C(C)C1N1C=CC=C1)C#N)C
SPLASH splash10-014i-2390000000-f271a80981b5ccd1a19d
Source of Spectrum K1-2018-1960-10a (DOI: 10.1002/ejoc.201800268)
Wiley ID 1891576