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(7Z)-7-(4-chlorobenzylidene)-3-(3-nitrophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
SpectraBase Compound ID 8nIjrk897Ur
InChI InChI=1S/C18H13ClN4O3S/c19-13-6-4-12(5-7-13)8-16-17(24)22-11-21(10-20-18(22)27-16)14-2-1-3-15(9-14)23(25)26/h1-9H,10-11H2/b16-8-
InChIKey WRISPFTXLBPODX-PXNMLYILSA-N
Mol Weight 400.84 g/mol
Molecular Formula C18H13ClN4O3S
Exact Mass 400.039689 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2QQCwcyZULZ
Name (7Z)-7-(4-chlorobenzylidene)-3-(3-nitrophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
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/C18H13ClN4O3S/c19-13-6-4-12(5-7-13)8-16-17(24)22-11-21(10-20-18(22)27-16)14-2-1-3-15(9-14)23(25)26/h1-9H,10-11H2/b16-8-
InChIKey WRISPFTXLBPODX-PXNMLYILSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_1662
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: C98025; Labnumber: RRKU-1712; SBI_ID: SBI-001664
Synonyms 7-(4-chlorobenzylidene)-3-(3-nitrophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Temperature 315 °C