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(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-[(2-fluorophenyl)imino]-4-oxotetrahydro-2H-1,3-thiazine-6-carboxamide
SpectraBase Compound ID CAJOZ5O2YOZ
InChI InChI=1S/C27H24FN3O5S/c1-2-34-19-10-8-18(9-11-19)29-26(33)24-14-25(32)31(15-17-7-12-22-23(13-17)36-16-35-22)27(37-24)30-21-6-4-3-5-20(21)28/h3-13,24H,2,14-16H2,1H3,(H,29,33)/b30-27-
InChIKey PXNGSJPRHWLQGJ-IKPAITLHSA-N
Mol Weight 521.56 g/mol
Molecular Formula C27H24FN3O5S
Exact Mass 521.14207 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F2XEss0mWKI
Name (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-[(2-fluorophenyl)imino]-4-oxotetrahydro-2H-1,3-thiazine-6-carboxamide
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/C27H24FN3O5S/c1-2-34-19-10-8-18(9-11-19)29-26(33)24-14-25(32)31(15-17-7-12-22-23(13-17)36-16-35-22)27(37-24)30-21-6-4-3-5-20(21)28/h3-13,24H,2,14-16H2,1H3,(H,29,33)/b30-27-
InChIKey PXNGSJPRHWLQGJ-IKPAITLHSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18899
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: D11854; Labnumber: MPOL-16082; SBI_ID: SBI-018902
Synonyms 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-[(2-fluorophenyl)imino]-4-oxotetrahydro-2H-1,3-thiazine-6-carboxamide
Temperature 308 °C