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4-[(Z)-(7-(3-fluorophenyl)-9-oxo-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-10(9H)-ylidene)methyl]benzoic acid
SpectraBase Compound ID IbnZA2Vs00R
InChI InChI=1S/C28H19FN2O3S/c29-20-6-3-5-19(15-20)25-22-13-12-17-4-1-2-7-21(17)24(22)30-28-31(25)26(32)23(35-28)14-16-8-10-18(11-9-16)27(33)34/h1-11,14-15,25H,12-13H2,(H,33,34)/b23-14-
InChIKey WSQDSGFVQUXXPV-UCQKPKSFSA-N
Mol Weight 482.53 g/mol
Molecular Formula C28H19FN2O3S
Exact Mass 482.110042 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HPzKnXJuH8K
Name 4-[(Z)-(7-(3-fluorophenyl)-9-oxo-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-10(9H)-ylidene)methyl]benzoic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C28H19FN2O3S/c29-20-6-3-5-19(15-20)25-22-13-12-17-4-1-2-7-21(17)24(22)30-28-31(25)26(32)23(35-28)14-16-8-10-18(11-9-16)27(33)34/h1-11,14-15,25H,12-13H2,(H,33,34)/b23-14-
InChIKey WSQDSGFVQUXXPV-UCQKPKSFSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9328
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: D53489; Labnumber: SPZAM-8075; SBI_ID: SBI-009331
Synonyms 4-[(7-(3-fluorophenyl)-9-oxo-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-10(9H)-ylidene)methyl]benzoic acid
Temperature 308 °C