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ethyl 4-{[(2Z)-6-[(4-methoxyanilino)carbonyl]-4-oxo-3-(2-phenylethyl)tetrahydro-2H-1,3-thiazin-2-ylidene]amino}benzoate
SpectraBase Compound ID YhTXxwD2dl
InChI InChI=1S/C29H29N3O5S/c1-3-37-28(35)21-9-11-23(12-10-21)31-29-32(18-17-20-7-5-4-6-8-20)26(33)19-25(38-29)27(34)30-22-13-15-24(36-2)16-14-22/h4-16,25H,3,17-19H2,1-2H3,(H,30,34)/b31-29-
InChIKey VWZSNHZLXLKXMM-YCNYHXFESA-N
Mol Weight 531.63 g/mol
Molecular Formula C29H29N3O5S
Exact Mass 531.182792 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G3tLlzAmLXv
Name ethyl 4-{[(2Z)-6-[(4-methoxyanilino)carbonyl]-4-oxo-3-(2-phenylethyl)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/C29H29N3O5S/c1-3-37-28(35)21-9-11-23(12-10-21)31-29-32(18-17-20-7-5-4-6-8-20)26(33)19-25(38-29)27(34)30-22-13-15-24(36-2)16-14-22/h4-16,25H,3,17-19H2,1-2H3,(H,30,34)/b31-29-
InChIKey VWZSNHZLXLKXMM-YCNYHXFESA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2338
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: D02421; Labnumber: MPOL-13115; SBI_ID: SBI-002340
Synonyms ethyl 4-{[6-[(4-methoxyanilino)carbonyl]-4-oxo-3-(2-phenylethyl)tetrahydro-2H-1,3-thiazin-2-ylidene]amino}benzoate
Temperature 318 °C