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2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(4-isobutoxyphenyl)methylidene]acetohydrazide

View entire compound with spectra: 2 NMR

2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(4-isobutoxyphenyl)methylidene]acetohydrazide
SpectraBase Compound ID Kt7ZeAAf90j
InChI InChI=1S/C20H21N3O2S2/c1-14(2)12-25-16-9-7-15(8-10-16)11-21-23-19(24)13-26-20-22-17-5-3-4-6-18(17)27-20/h3-11,14H,12-13H2,1-2H3,(H,23,24)/b21-11+
InChIKey MIORAQHBBIUXCH-SRZZPIQSSA-N
Mol Weight 399.53 g/mol
Molecular Formula C20H21N3O2S2
Exact Mass 399.107519 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Xb3vi6Qtd7
Name 2-(1,3-Benzothiazol-2-ylsulfanyl)-N'-[(E)-(4-isobutoxyphenyl)methylidene]acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.107519274 u
Formula C20H21N3O2S2
InChI InChI=1S/C20H21N3O2S2/c1-14(2)12-25-16-9-7-15(8-10-16)11-21-23-19(24)13-26-20-22-17-5-3-4-6-18(17)27-20/h3-11,14H,12-13H2,1-2H3,(H,23,24)/b21-11+
InChIKey MIORAQHBBIUXCH-SRZZPIQSSA-N
Molecular Weight 399.527 g/mol
SMILES N(\N=C\C=1C=CC(OCC(C)C)=CC1)C(CSC1=NC=2C=CC=CC2S1)=O