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4-bromobenzaldehyde [(2E)-3-benzyl-5-butyl-4-oxo-1,3-thiazolidin-2-ylidene]hydrazone

View entire compound with spectra: 2 NMR

4-bromobenzaldehyde [(2E)-3-benzyl-5-butyl-4-oxo-1,3-thiazolidin-2-ylidene]hydrazone
SpectraBase Compound ID 2D8v6iF3sKG
InChI InChI=1S/C21H22BrN3OS/c1-2-3-9-19-20(26)25(15-17-7-5-4-6-8-17)21(27-19)24-23-14-16-10-12-18(22)13-11-16/h4-8,10-14,19H,2-3,9,15H2,1H3/b23-14+,24-21+
InChIKey HNCZVNSWRRRRSL-LGLHSBMDSA-N
Mol Weight 444.39 g/mol
Molecular Formula C21H22BrN3OS
Exact Mass 443.066697 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GEUf6I0unQU
Name 4-Bromobenzaldehyde [(2E)-3-benzyl-5-butyl-4-oxo-1,3-thiazolidin-2-ylidene]hydrazone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 443.066696513 u
Formula C21H22BrN3OS
InChI InChI=1S/C21H22BrN3OS/c1-2-3-9-19-20(26)25(15-17-7-5-4-6-8-17)21(27-19)24-23-14-16-10-12-18(22)13-11-16/h4-8,10-14,19H,2-3,9,15H2,1H3/b23-14+,24-21+
InChIKey HNCZVNSWRRRRSL-LGLHSBMDSA-N
Molecular Weight 444.391 g/mol
SMILES C1=CC=C(CN2\C(SC(C2=O)CCCC)=N/N=C/C2=CC=C(C=C2)Br)C=C1