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

*Links on SpectraBase are not permalinks.

ethyl 2-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-4-oxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate

View entire compound with spectra: 1 NMR

ethyl 2-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-4-oxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
SpectraBase Compound ID 33S4VqYdlN9
InChI InChI=1S/C22H22ClN5O3S/c1-3-31-22(30)27-10-9-14-15(11-27)32-21-17(14)20(29)24-19(25-21)16-12(2)26-28(18(16)23)13-7-5-4-6-8-13/h4-8,19,25H,3,9-11H2,1-2H3,(H,24,29)
InChIKey MMTJKAQILNBLEX-UHFFFAOYSA-N
Mol Weight 471.96 g/mol
Molecular Formula C22H22ClN5O3S
Exact Mass 471.113188 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 2KqrPFJsVMr
Name ethyl 2-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-4-oxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H22ClN5O3S/c1-3-31-22(30)27-10-9-14-15(11-27)32-21-17(14)20(29)24-19(25-21)16-12(2)26-28(18(16)23)13-7-5-4-6-8-13/h4-8,19,25H,3,9-11H2,1-2H3,(H,24,29)
InChIKey MMTJKAQILNBLEX-UHFFFAOYSA-N
NMR Offset 15.3548
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UBI_21270_6304
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: 62814; UBI_ID: UBI-006306
Temperature 318 °C