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Benzaldehyde, 4-[p-(beta-D-glucosylthio)phenyl]-3-thiosemicarbazone

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 UV-Vis

Benzaldehyde, 4-[p-(beta-D-glucosylthio)phenyl]-3-thiosemicarbazone
SpectraBase Compound ID 4tdVsq1eiLm
InChI InChI=1S/C20H23N3O5S2/c24-11-15-16(25)17(26)18(27)19(28-15)30-14-8-6-13(7-9-14)22-20(29)23-21-10-12-4-2-1-3-5-12/h1-10,15-19,24-27H,11H2,(H2,22,23,29)/t15-,16-,17+,18-,19+/m1/s1
InChIKey CPTWWPDUNUNLFF-FQBWVUSXSA-N
Mol Weight 449.54 g/mol
Molecular Formula C20H23N3O5S2
Exact Mass 449.107913 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3NKoQE5TdWi
Name Benzaldehyde, 4-[p-(beta-D-glucosylthio)phenyl]-3-thiosemicarbazone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 449.107913196 u
Formula C20H23N3O5S2
InChI InChI=1S/C20H23N3O5S2/c24-11-15-16(25)17(26)18(27)19(28-15)30-14-8-6-13(7-9-14)22-20(29)23-21-10-12-4-2-1-3-5-12/h1-10,15-19,24-27H,11H2,(H2,22,23,29)/t15-,16-,17+,18-,19+/m1/s1
InChIKey CPTWWPDUNUNLFF-FQBWVUSXSA-N
Molecular Weight 449.540 g/mol
SMILES OC[C@@]1([C@]([C@@]([C@]([C@@](O1)(SC=1C=CC(=CC1)NC(NN=CC=1C=CC=CC1)=S)[H])(O)[H])(O)[H])(O)[H])[H]