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ethyl 4-({(2Z)-3-benzyl-6-[(4-methoxyanilino)carbonyl]-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene}amino)benzoate
SpectraBase Compound ID A2k9k5Sq46u
InChI InChI=1S/C28H27N3O5S/c1-3-36-27(34)20-9-11-22(12-10-20)30-28-31(18-19-7-5-4-6-8-19)25(32)17-24(37-28)26(33)29-21-13-15-23(35-2)16-14-21/h4-16,24H,3,17-18H2,1-2H3,(H,29,33)/b30-28-
InChIKey BQVBTGYZOLHUHK-HYOGKJQXSA-N
Mol Weight 517.6 g/mol
Molecular Formula C28H27N3O5S
Exact Mass 517.167142 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3ph6uFVFYA4
Name ethyl 4-({(2Z)-3-benzyl-6-[(4-methoxyanilino)carbonyl]-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/C28H27N3O5S/c1-3-36-27(34)20-9-11-22(12-10-20)30-28-31(18-19-7-5-4-6-8-19)25(32)17-24(37-28)26(33)29-21-13-15-23(35-2)16-14-21/h4-16,24H,3,17-18H2,1-2H3,(H,29,33)/b30-28-
InChIKey BQVBTGYZOLHUHK-HYOGKJQXSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2352
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: D02436; Labnumber: MPOL-13815; SBI_ID: SBI-002354
Synonyms ethyl 4-({3-benzyl-6-[(4-methoxyanilino)carbonyl]-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene}amino)benzoate
Temperature 318 °C