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4-Amino-5-(4-chlorobenzoyl)-2-(1-pyrrolidinyl)-3-thiophenecarbonitrile

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-Amino-5-(4-chlorobenzoyl)-2-(1-pyrrolidinyl)-3-thiophenecarbonitrile
SpectraBase Compound ID 1WOoCC1IuHE
InChI InChI=1S/C16H14ClN3OS/c17-11-5-3-10(4-6-11)14(21)15-13(19)12(9-18)16(22-15)20-7-1-2-8-20/h3-6H,1-2,7-8,19H2
InChIKey FKTJKMMVZTUAQE-UHFFFAOYSA-N
Mol Weight 331.82 g/mol
Molecular Formula C16H14ClN3OS
Exact Mass 331.054611 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9HGOd97SuDm
Name 4-Amino-5-(4-chlorobenzoyl)-2-(1-pyrrolidinyl)-3-thiophenecarbonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.054610956 u
Formula C16H14ClN3OS
InChI InChI=1S/C16H14ClN3OS/c17-11-5-3-10(4-6-11)14(21)15-13(19)12(9-18)16(22-15)20-7-1-2-8-20/h3-6H,1-2,7-8,19H2
InChIKey FKTJKMMVZTUAQE-UHFFFAOYSA-N
Molecular Weight 331.821 g/mol
SMILES C=1(SC(N2CCCC2)=C(C1N)C#N)C(C=1C=CC(=CC1)Cl)=O