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benzoic acid, 4-[[(2Z)-6-[[(4-butoxyphenyl)amino]carbonyl]-3-[(4-chlorophenyl)methyl]tetrahydro-4-oxo-2H-1,3-thiazin-2-ylidene]amino]-, ethyl
SpectraBase Compound ID CbbltvyVcel
InChI InChI=1S/C31H32ClN3O5S/c1-3-5-18-40-26-16-14-24(15-17-26)33-29(37)27-19-28(36)35(20-21-6-10-23(32)11-7-21)31(41-27)34-25-12-8-22(9-13-25)30(38)39-4-2/h6-17,27H,3-5,18-20H2,1-2H3,(H,33,37)/b34-31-
InChIKey LBERJZYQBWTTRK-NMSHJFGGSA-N
Mol Weight 594.1 g/mol
Molecular Formula C31H32ClN3O5S
Exact Mass 593.17512 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1QvqgLvyJOd
Name benzoic acid, 4-[[(2Z)-6-[[(4-butoxyphenyl)amino]carbonyl]-3-[(4-chlorophenyl)methyl]tetrahydro-4-oxo-2H-1,3-thiazin-2-ylidene]amino]-, ethyl
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 593.175120011 u
Formula C31H32ClN3O5S
InChI InChI=1S/C31H32ClN3O5S/c1-3-5-18-40-26-16-14-24(15-17-26)33-29(37)27-19-28(36)35(20-21-6-10-23(32)11-7-21)31(41-27)34-25-12-8-22(9-13-25)30(38)39-4-2/h6-17,27H,3-5,18-20H2,1-2H3,(H,33,37)/b34-31-
InChIKey LBERJZYQBWTTRK-NMSHJFGGSA-N
Molecular Weight 594.126 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8484
Solvent DMSO-d6
Source Vendor ID: NMR/9322838; Lab Info: PE; Lab Number: PE-0129947