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2,4-dimethoxybenzaldehyde [(2E)-3-(4-methoxybenzyl)-4-oxo-5-propyl-1,3-thiazolidin-2-ylidene]hydrazone
SpectraBase Compound ID 4joUYfPHKEU
InChI InChI=1S/C23H27N3O4S/c1-5-6-21-22(27)26(15-16-7-10-18(28-2)11-8-16)23(31-21)25-24-14-17-9-12-19(29-3)13-20(17)30-4/h7-14,21H,5-6,15H2,1-4H3/b24-14+,25-23+
InChIKey BNJNHSZAMVAYDK-ULSSEVJHSA-N
Mol Weight 441.55 g/mol
Molecular Formula C23H27N3O4S
Exact Mass 441.172228 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9baATXQRz1N
Name 2,4-Dimethoxybenzaldehyde [(2E)-3-(4-methoxybenzyl)-4-oxo-5-propyl-1,3-thiazolidin-2-ylidene]hydrazone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.172227531 u
Formula C23H27N3O4S
InChI InChI=1S/C23H27N3O4S/c1-5-6-21-22(27)26(15-16-7-10-18(28-2)11-8-16)23(31-21)25-24-14-17-9-12-19(29-3)13-20(17)30-4/h7-14,21H,5-6,15H2,1-4H3/b24-14+,25-23+
InChIKey BNJNHSZAMVAYDK-ULSSEVJHSA-N
Molecular Weight 441.546 g/mol
SMILES CCCC1C(N(\C(S1)=N/N=C/C=1C(=CC(=CC1)OC)OC)CC=1C=CC(=CC1)OC)=O