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ethyl 4-[((2Z)-3-benzyl-6-{[4-(ethoxycarbonyl)anilino]carbonyl}-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene)amino]benzoate
SpectraBase Compound ID 5rVI6l0DQMy
InChI InChI=1S/C30H29N3O6S/c1-3-38-28(36)21-10-14-23(15-11-21)31-27(35)25-18-26(34)33(19-20-8-6-5-7-9-20)30(40-25)32-24-16-12-22(13-17-24)29(37)39-4-2/h5-17,25H,3-4,18-19H2,1-2H3,(H,31,35)/b32-30-
InChIKey GBRKHMRUBPRBCJ-GCUVURNUSA-N
Mol Weight 559.64 g/mol
Molecular Formula C30H29N3O6S
Exact Mass 559.177707 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GWWuvCfdoyF
Name ethyl 4-[((2Z)-3-benzyl-6-{[4-(ethoxycarbonyl)anilino]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/C30H29N3O6S/c1-3-38-28(36)21-10-14-23(15-11-21)31-27(35)25-18-26(34)33(19-20-8-6-5-7-9-20)30(40-25)32-24-16-12-22(13-17-24)29(37)39-4-2/h5-17,25H,3-4,18-19H2,1-2H3,(H,31,35)/b32-30-
InChIKey GBRKHMRUBPRBCJ-GCUVURNUSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2351
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: D02435; Labnumber: MPOL-13808; SBI_ID: SBI-002353
Synonyms ethyl 4-[(3-benzyl-6-{[4-(ethoxycarbonyl)anilino]carbonyl}-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene)amino]benzoate
Temperature 318 °C