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ethyl 4-({(2Z)-4-oxo-3-(2-phenylethyl)-6-[(4-propoxyanilino)carbonyl]tetrahydro-2H-1,3-thiazin-2-ylidene}amino)benzoate
SpectraBase Compound ID AxEbNEfvu0S
InChI InChI=1S/C31H33N3O5S/c1-3-20-39-26-16-14-24(15-17-26)32-29(36)27-21-28(35)34(19-18-22-8-6-5-7-9-22)31(40-27)33-25-12-10-23(11-13-25)30(37)38-4-2/h5-17,27H,3-4,18-21H2,1-2H3,(H,32,36)/b33-31-
InChIKey XMXXTDIHNVREEV-FPODKLOTSA-N
Mol Weight 559.7 g/mol
Molecular Formula C31H33N3O5S
Exact Mass 559.214092 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2JdLBIuBiCb
Name ethyl 4-({(2Z)-4-oxo-3-(2-phenylethyl)-6-[(4-propoxyanilino)carbonyl]tetrahydro-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/C31H33N3O5S/c1-3-20-39-26-16-14-24(15-17-26)32-29(36)27-21-28(35)34(19-18-22-8-6-5-7-9-22)31(40-27)33-25-12-10-23(11-13-25)30(37)38-4-2/h5-17,27H,3-4,18-21H2,1-2H3,(H,32,36)/b33-31-
InChIKey XMXXTDIHNVREEV-FPODKLOTSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20487
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: D18664; Labnumber: MPOL-13100; SBI_ID: SBI-020491
Synonyms ethyl 4-({4-oxo-3-(2-phenylethyl)-6-[(4-propoxyanilino)carbonyl]tetrahydro-2H-1,3-thiazin-2-ylidene}amino)benzoate
Temperature 318 °C