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

*Links on SpectraBase are not permalinks.
isopropyl 2-chloro-5-{[(Z)-(2,4,6-trioxo-1-phenyltetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate
SpectraBase Compound ID 8ervm4G4Erd
InChI InChI=1S/C21H18ClN3O5/c1-12(2)30-20(28)15-10-13(8-9-17(15)22)23-11-16-18(26)24-21(29)25(19(16)27)14-6-4-3-5-7-14/h3-12,23H,1-2H3,(H,24,26,29)/b16-11-
InChIKey HBGGNXOIDFVNSZ-WJDWOHSUSA-N
Mol Weight 427.84 g/mol
Molecular Formula C21H18ClN3O5
Exact Mass 427.093498 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 FDxJJbmMpX
Name isopropyl 2-chloro-5-{[(Z)-(2,4,6-trioxo-1-phenyltetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate
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/C21H18ClN3O5/c1-12(2)30-20(28)15-10-13(8-9-17(15)22)23-11-16-18(26)24-21(29)25(19(16)27)14-6-4-3-5-7-14/h3-12,23H,1-2H3,(H,24,26,29)/b16-11-
InChIKey HBGGNXOIDFVNSZ-WJDWOHSUSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_15970
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/8057104; UBI_ID: UBI-015973
Synonyms isopropyl 2-chloro-5-{[(2,4,6-trioxo-1-phenyltetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoate
Temperature 308 °C