For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Butane-1,4-dione, 1-(4-chlorophenyl)-4-phenyl-3-(2-thienyl)-

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

Butane-1,4-dione, 1-(4-chlorophenyl)-4-phenyl-3-(2-thienyl)-
SpectraBase Compound ID 8Nz37xzOYYO
InChI InChI=1S/C20H15ClO2S/c21-16-10-8-14(9-11-16)18(22)13-17(19-7-4-12-24-19)20(23)15-5-2-1-3-6-15/h1-12,17H,13H2
InChIKey SLBCSDIPOZQOJZ-UHFFFAOYSA-N
Mol Weight 354.85 g/mol
Molecular Formula C20H15ClO2S
Exact Mass 354.048129 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IFRgGyNGvcO
Name Butane-1,4-dione, 1-(4-chlorophenyl)-4-phenyl-3-(2-thienyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.048128595 u
Formula C20H15ClO2S
InChI InChI=1S/C20H15ClO2S/c21-16-10-8-14(9-11-16)18(22)13-17(19-7-4-12-24-19)20(23)15-5-2-1-3-6-15/h1-12,17H,13H2
InChIKey SLBCSDIPOZQOJZ-UHFFFAOYSA-N
Molecular Weight 354.851 g/mol
SMILES C(C(=O)C1=CC=CC=C1)(CC(C1=CC=C(C=C1)Cl)=O)C=1SC=CC1