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(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxylic acid
SpectraBase Compound ID KlZZWSkoxUs
InChI InChI=1S/C21H20N2O6S/c1-2-27-15-6-4-14(5-7-15)22-21-23(19(24)10-18(30-21)20(25)26)11-13-3-8-16-17(9-13)29-12-28-16/h3-9,18H,2,10-12H2,1H3,(H,25,26)/b22-21-
InChIKey FXSPZFMYWATPQX-DQRAZIAOSA-N
Mol Weight 428.46 g/mol
Molecular Formula C21H20N2O6S
Exact Mass 428.104208 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5qmJFHxqLcU
Name (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxylic acid
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/C21H20N2O6S/c1-2-27-15-6-4-14(5-7-15)22-21-23(19(24)10-18(30-21)20(25)26)11-13-3-8-16-17(9-13)29-12-28-16/h3-9,18H,2,10-12H2,1H3,(H,25,26)/b22-21-
InChIKey FXSPZFMYWATPQX-DQRAZIAOSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_852
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: NMR/9211667; Labnumber: L-04,Polunin
Temperature 297 °C