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ethyl 4-{[(2Z)-6-[(4-ethoxyanilino)carbonyl]-3-(4-methoxybenzyl)-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene]amino}benzoate
SpectraBase Compound ID 5BO9aJa950b
InChI InChI=1S/C30H31N3O6S/c1-4-38-25-16-12-22(13-17-25)31-28(35)26-18-27(34)33(19-20-6-14-24(37-3)15-7-20)30(40-26)32-23-10-8-21(9-11-23)29(36)39-5-2/h6-17,26H,4-5,18-19H2,1-3H3,(H,31,35)/b32-30-
InChIKey ATIGILQBQWNRAN-GCUVURNUSA-N
Mol Weight 561.65 g/mol
Molecular Formula C30H31N3O6S
Exact Mass 561.193357 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IpcFsUIY0hD
Name ethyl 4-{[(2Z)-6-[(4-ethoxyanilino)carbonyl]-3-(4-methoxybenzyl)-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/C30H31N3O6S/c1-4-38-25-16-12-22(13-17-25)31-28(35)26-18-27(34)33(19-20-6-14-24(37-3)15-7-20)30(40-26)32-23-10-8-21(9-11-23)29(36)39-5-2/h6-17,26H,4-5,18-19H2,1-3H3,(H,31,35)/b32-30-
InChIKey ATIGILQBQWNRAN-GCUVURNUSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2340
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: D02423; Labnumber: MPOL-13127; SBI_ID: SBI-002342
Synonyms ethyl 4-{[6-[(4-ethoxyanilino)carbonyl]-3-(4-methoxybenzyl)-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene]amino}benzoate
Temperature 318 °C