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4-{[((2E)-2-{(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazono}-4-oxotetrahydro-2H-1,3-thiazin-6-yl)carbonyl]amino}benzoic acid

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4-{[((2E)-2-{(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazono}-4-oxotetrahydro-2H-1,3-thiazin-6-yl)carbonyl]amino}benzoic acid
SpectraBase Compound ID CVWTrUODK56
InChI InChI=1S/C20H17ClN4O4S/c1-11(12-2-6-14(21)7-3-12)24-25-20-23-17(26)10-16(30-20)18(27)22-15-8-4-13(5-9-15)19(28)29/h2-9,16H,10H2,1H3,(H,22,27)(H,28,29)(H,23,25,26)/b24-11+
InChIKey KQYUIQYFSKEKQW-BHGWPJFGSA-N
Mol Weight 444.89 g/mol
Molecular Formula C20H17ClN4O4S
Exact Mass 444.065904 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4WSXIojZAJf
Name 4-{[((2E)-2-{(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazono}-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/C20H17ClN4O4S/c1-11(12-2-6-14(21)7-3-12)24-25-20-23-17(26)10-16(30-20)18(27)22-15-8-4-13(5-9-15)19(28)29/h2-9,16H,10H2,1H3,(H,22,27)(H,28,29)(H,23,25,26)/b24-11+
InChIKey KQYUIQYFSKEKQW-BHGWPJFGSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18862
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: D11797; Labnumber: MPOL-15518; SBI_ID: SBI-018865
Synonyms 4-{[(2-{2-[1-(4-chlorophenyl)ethylidene]hydrazono}-4-oxotetrahydro-2H-1,3-thiazin-6-yl)carbonyl]amino}benzoic acid
Temperature 308 °C