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

*Links on SpectraBase are not permalinks.

benzoic acid, 4-[[[(2E)-2-(1,3-benzodioxol-5-ylimino)-3-ethyltetrahydro-4-oxo-2H-1,3-thiazin-6-yl]carbonyl]amino]-, methyl ester

View entire compound with spectra: 1 NMR

benzoic acid, 4-[[[(2E)-2-(1,3-benzodioxol-5-ylimino)-3-ethyltetrahydro-4-oxo-2H-1,3-thiazin-6-yl]carbonyl]amino]-, methyl ester
SpectraBase Compound ID CXqQBq4NGHi
InChI InChI=1S/C22H21N3O6S/c1-3-25-19(26)11-18(20(27)23-14-6-4-13(5-7-14)21(28)29-2)32-22(25)24-15-8-9-16-17(10-15)31-12-30-16/h4-10,18H,3,11-12H2,1-2H3,(H,23,27)/b24-22+
InChIKey NGBUVYNPZZPJLV-ZNTNEXAZSA-N
Mol Weight 455.49 g/mol
Molecular Formula C22H21N3O6S
Exact Mass 455.115107 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 6uBNUbgI72A
Name benzoic acid, 4-[[[(2E)-2-(1,3-benzodioxol-5-ylimino)-3-ethyltetrahydro-4-oxo-2H-1,3-thiazin-6-yl]carbonyl]amino]-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 455.115106576 u
Formula C22H21N3O6S
InChI InChI=1S/C22H21N3O6S/c1-3-25-19(26)11-18(20(27)23-14-6-4-13(5-7-14)21(28)29-2)32-22(25)24-15-8-9-16-17(10-15)31-12-30-16/h4-10,18H,3,11-12H2,1-2H3,(H,23,27)/b24-22+
InChIKey NGBUVYNPZZPJLV-ZNTNEXAZSA-N
Molecular Weight 455.485 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14444
Solvent DMSO-d6
Source Vendor ID: NMR/10222126; Lab Info: PE; Lab Number: PE-0002861