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(2Z)-N-(3-bromophenyl)-3-(4-chlorobenzyl)-4-oxo-2-(phenylimino)tetrahydro-2H-1,3-thiazine-6-carboxamide
SpectraBase Compound ID 7ES9EDq3EWU
InChI InChI=1S/C24H19BrClN3O2S/c25-17-5-4-8-20(13-17)27-23(31)21-14-22(30)29(15-16-9-11-18(26)12-10-16)24(32-21)28-19-6-2-1-3-7-19/h1-13,21H,14-15H2,(H,27,31)/b28-24-
InChIKey ZNDWDQAAOZJNFR-COOPMVRXSA-N
Mol Weight 528.85 g/mol
Molecular Formula C24H19BrClN3O2S
Exact Mass 527.006989 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4LgQnVOT4pe
Name (2Z)-N-(3-Bromophenyl)-3-(4-chlorobenzyl)-4-oxo-2-(phenylimino)tetrahydro-2H-1,3-thiazine-6-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 527.006988736 u
Formula C24H19BrClN3O2S
InChI InChI=1S/C24H19BrClN3O2S/c25-17-5-4-8-20(13-17)27-23(31)21-14-22(30)29(15-16-9-11-18(26)12-10-16)24(32-21)28-19-6-2-1-3-7-19/h1-13,21H,14-15H2,(H,27,31)/b28-24-
InChIKey ZNDWDQAAOZJNFR-COOPMVRXSA-N
Molecular Weight 528.852 g/mol
SMILES N(C(C1CC(N(\C(S1)=N\C=1C=CC=CC1)CC1=CC=C(C=C1)Cl)=O)=O)C1=CC(Br)=CC=C1