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

*Links on SpectraBase are not permalinks.

S1-[(1-Benzyl-3-chloro-1,6-dihydro-5-phenyl-6-oxo-2-pyrazinyl)methyl]ethanethioate

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

S1-[(1-Benzyl-3-chloro-1,6-dihydro-5-phenyl-6-oxo-2-pyrazinyl)methyl]ethanethioate
SpectraBase Compound ID J6iqMbr8Z1A
InChI InChI=1S/C20H17ClN2O2S/c1-14(24)26-13-17-19(21)22-18(16-10-6-3-7-11-16)20(25)23(17)12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3
InChIKey FIYFCPJALYBSEH-UHFFFAOYSA-N
Mol Weight 384.88 g/mol
Molecular Formula C20H17ClN2O2S
Exact Mass 384.069927 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 lKMs66XT5L
Name S1-[(1-Benzyl-3-chloro-1,6-dihydro-5-phenyl-6-oxo-2-pyrazinyl)methyl]ethanethioate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.069926667 u
Formula C20H17ClN2O2S
InChI InChI=1S/C20H17ClN2O2S/c1-14(24)26-13-17-19(21)22-18(16-10-6-3-7-11-16)20(25)23(17)12-15-8-4-2-5-9-15/h2-11H,12-13H2,1H3
InChIKey FIYFCPJALYBSEH-UHFFFAOYSA-N
Molecular Weight 384.881 g/mol
SMILES C=1(N(C(C(=NC1Cl)C1=CC=CC=C1)=O)CC=1C=CC=CC1)CSC(=O)C