For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
ethyl 4-{[(2Z)-6-(anilinocarbonyl)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene]amino}benzoate
SpectraBase Compound ID 710xHBUCMPv
InChI InChI=1S/C28H25N3O6S/c1-2-35-27(34)19-9-11-21(12-10-19)30-28-31(16-18-8-13-22-23(14-18)37-17-36-22)25(32)15-24(38-28)26(33)29-20-6-4-3-5-7-20/h3-14,24H,2,15-17H2,1H3,(H,29,33)/b30-28-
InChIKey KRBOXIBMWJLNTL-HYOGKJQXSA-N
Mol Weight 531.58 g/mol
Molecular Formula C28H25N3O6S
Exact Mass 531.146407 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CXN2m40WJYZ
Name ethyl 4-{[(2Z)-6-(anilinocarbonyl)-3-(1,3-benzodioxol-5-ylmethyl)-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/C28H25N3O6S/c1-2-35-27(34)19-9-11-21(12-10-19)30-28-31(16-18-8-13-22-23(14-18)37-17-36-22)25(32)15-24(38-28)26(33)29-20-6-4-3-5-7-20/h3-14,24H,2,15-17H2,1H3,(H,29,33)/b30-28-
InChIKey KRBOXIBMWJLNTL-HYOGKJQXSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20491
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: D18669; Labnumber: MPOL-13204; SBI_ID: SBI-020495
Synonyms ethyl 4-{[6-(anilinocarbonyl)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene]amino}benzoate
Temperature 318 °C