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5-(Isopropylamino)-3-methyl-4-(1H-pyrrol-1-yl)thiophene-2-carbonitrile
SpectraBase Compound ID KCTYDxKPDUM
InChI InChI=1S/C13H15N3S/c1-9(2)15-13-12(16-6-4-5-7-16)10(3)11(8-14)17-13/h4-7,9,15H,1-3H3
InChIKey HYLMEPSDZPTVCZ-UHFFFAOYSA-N
Mol Weight 245.34 g/mol
Molecular Formula C13H15N3S
Exact Mass 245.098669 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ZoKMeX9soz
Name 5-(Isopropylamino)-3-methyl-4-(1H-pyrrol-1-yl)thiophene-2-carbonitrile
Appearance Yellow-brown prismatic crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15N3S
InChI InChI=1S/C13H15N3S/c1-9(2)15-13-12(16-6-4-5-7-16)10(3)11(8-14)17-13/h4-7,9,15H,1-3H3
InChIKey HYLMEPSDZPTVCZ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800268
Molecular Weight 245.344 g/mol
Quality 552
SMILES N(C(C)C)C1=C(C(=C(S1)C#N)C)N1C=CC=C1
SPLASH splash10-0f6w-3190000000-356cb63d9faa4331c7b9
Source of Spectrum K1-2018-1960-10c (DOI: 10.1002/ejoc.201800268)
Wiley ID 1891578