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ethyl 4-{[(2Z)-6-[(3-chloroanilino)carbonyl]-3-(4-methoxybenzyl)-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene]amino}benzoate
SpectraBase Compound ID 4DbJCLTofhU
InChI InChI=1S/C28H26ClN3O5S/c1-3-37-27(35)19-9-11-21(12-10-19)31-28-32(17-18-7-13-23(36-2)14-8-18)25(33)16-24(38-28)26(34)30-22-6-4-5-20(29)15-22/h4-15,24H,3,16-17H2,1-2H3,(H,30,34)/b31-28-
InChIKey LOZPPEOLENJMHW-PNOGMODKSA-N
Mol Weight 552.05 g/mol
Molecular Formula C28H26ClN3O5S
Exact Mass 551.12817 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KSBWPvrdLQA
Name ethyl 4-{[(2Z)-6-[(3-chloroanilino)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/C28H26ClN3O5S/c1-3-37-27(35)19-9-11-21(12-10-19)31-28-32(17-18-7-13-23(36-2)14-8-18)25(33)16-24(38-28)26(34)30-22-6-4-5-20(29)15-22/h4-15,24H,3,16-17H2,1-2H3,(H,30,34)/b31-28-
InChIKey LOZPPEOLENJMHW-PNOGMODKSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18804
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: D11719; Labnumber: MPOL-13119; SBI_ID: SBI-018807
Synonyms ethyl 4-{[6-[(3-chloroanilino)carbonyl]-3-(4-methoxybenzyl)-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene]amino}benzoate
Temperature 306 °C