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acetic acid, [[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-[4-(1,1-dimethylethyl)phenyl]methylidene]hydrazide

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acetic acid, [[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-[4-(1,1-dimethylethyl)phenyl]methylidene]hydrazide
SpectraBase Compound ID Fkqutrp2ggV
InChI InChI=1S/C28H29N5O2S/c1-28(2,3)22-14-10-20(11-15-22)18-29-30-25(34)19-36-27-32-31-26(21-12-16-24(35-4)17-13-21)33(27)23-8-6-5-7-9-23/h5-18H,19H2,1-4H3,(H,30,34)/b29-18+
InChIKey BQGSGCONXHTSBY-RDRPBHBLSA-N
Mol Weight 499.63 g/mol
Molecular Formula C28H29N5O2S
Exact Mass 499.204196 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EExzzeykZdx
Name acetic acid, [[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-[4-(1,1-dimethylethyl)phenyl]methylidene]hydrazide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C28H29N5O2S/c1-28(2,3)22-14-10-20(11-15-22)18-29-30-25(34)19-36-27-32-31-26(21-12-16-24(35-4)17-13-21)33(27)23-8-6-5-7-9-23/h5-18H,19H2,1-4H3,(H,30,34)/b29-18+
InChIKey BQGSGCONXHTSBY-RDRPBHBLSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_4503
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/10247418