4-[({(2Z)-2-[(4-chlorophenyl)imino]-3-[2-(4-fluorophenyl)ethyl]-4-oxotetrahydro-2H-1,3-thiazin-6-yl}carbonyl)amino]benzoic acid

SpectraBase Compound ID	BUnIEFajKKU
InChI	InChI=1S/C26H21ClFN3O4S/c27-18-5-11-21(12-6-18)30-26-31(14-13-16-1-7-19(28)8-2-16)23(32)15-22(36-26)24(33)29-20-9-3-17(4-10-20)25(34)35/h1-12,22H,13-15H2,(H,29,33)(H,34,35)/b30-26-
InChIKey	PDFKUPQRYXMXBE-BXVZCJGGSA-N Google Search
Mol Weight	525.98 g/mol
Molecular Formula	C26H21ClFN3O4S
Exact Mass	525.092533 g/mol

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SpectraBase Spectrum ID	9PncGjSgyFJ
Name	4-[({(2Z)-2-[(4-chlorophenyl)imino]-3-[2-(4-fluorophenyl)ethyl]-4-oxotetrahydro-2H-1,3-thiazin-6-yl}carbonyl)amino]benzoic acid
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/C26H21ClFN3O4S/c27-18-5-11-21(12-6-18)30-26-31(14-13-16-1-7-19(28)8-2-16)23(32)15-22(36-26)24(33)29-20-9-3-17(4-10-20)25(34)35/h1-12,22H,13-15H2,(H,29,33)(H,34,35)/b30-26-
InChIKey	PDFKUPQRYXMXBE-BXVZCJGGSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_1162
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: C94460; Labnumber: MPOL-16120; SBI_ID: SBI-001164
Synonyms	4-[({2-[(4-chlorophenyl)imino]-3-[2-(4-fluorophenyl)ethyl]-4-oxotetrahydro-2H-1,3-thiazin-6-yl}carbonyl)amino]benzoic acid
Temperature	318 °C