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ethyl 4-((7Z)-7-(5-chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-6-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate
SpectraBase Compound ID IjAVslrTMdg
InChI InChI=1S/C22H17ClN4O4S/c1-2-31-21(30)12-3-6-14(7-4-12)26-10-24-22-27(11-26)20(29)18(32-22)17-15-9-13(23)5-8-16(15)25-19(17)28/h3-9H,2,10-11H2,1H3,(H,25,28)/b18-17-
InChIKey FEOYLVRFKCRMPP-ZCXUNETKSA-N
Mol Weight 468.92 g/mol
Molecular Formula C22H17ClN4O4S
Exact Mass 468.065904 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Eqw9JMyvQZC
Name ethyl 4-((7Z)-7-(5-chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-6-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)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/C22H17ClN4O4S/c1-2-31-21(30)12-3-6-14(7-4-12)26-10-24-22-27(11-26)20(29)18(32-22)17-15-9-13(23)5-8-16(15)25-19(17)28/h3-9H,2,10-11H2,1H3,(H,25,28)/b18-17-
InChIKey FEOYLVRFKCRMPP-ZCXUNETKSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_906
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: C94769; Labnumber: RRKU-1656; SBI_ID: SBI-000908
Synonyms ethyl 4-(7-(5-chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-6-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate
Temperature 318 °C