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ethyl 4-{[(2Z)-6-[(2-chloroanilino)carbonyl]-3-(2-chlorobenzyl)-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene]amino}benzoate
SpectraBase Compound ID 1CnLp4uixDO
InChI InChI=1S/C27H23Cl2N3O4S/c1-2-36-26(35)17-11-13-19(14-12-17)30-27-32(16-18-7-3-4-8-20(18)28)24(33)15-23(37-27)25(34)31-22-10-6-5-9-21(22)29/h3-14,23H,2,15-16H2,1H3,(H,31,34)/b30-27-
InChIKey YAOIVWJIAAPFMC-IKPAITLHSA-N
Mol Weight 556.46 g/mol
Molecular Formula C27H23Cl2N3O4S
Exact Mass 555.078633 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K0SyxVg0Vkd
Name ethyl 4-{[(2Z)-6-[(2-chloroanilino)carbonyl]-3-(2-chlorobenzyl)-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene]amino}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/C27H23Cl2N3O4S/c1-2-36-26(35)17-11-13-19(14-12-17)30-27-32(16-18-7-3-4-8-20(18)28)24(33)15-23(37-27)25(34)31-22-10-6-5-9-21(22)29/h3-14,23H,2,15-16H2,1H3,(H,31,34)/b30-27-
InChIKey YAOIVWJIAAPFMC-IKPAITLHSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2353
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: D02437; Labnumber: MPOL-14094; SBI_ID: SBI-002355
Synonyms ethyl 4-{[6-[(2-chloroanilino)carbonyl]-3-(2-chlorobenzyl)-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene]amino}benzoate
Temperature 318 °C