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4-(4-butylphenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol

View entire compound with spectra: 1 NMR

4-(4-butylphenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID FRVSqHdvMd4
InChI InChI=1S/C21H25N3O3S/c1-5-6-7-14-8-10-16(11-9-14)24-20(22-23-21(24)28)15-12-17(25-2)19(27-4)18(13-15)26-3/h8-13H,5-7H2,1-4H3,(H,23,28)
InChIKey BCLZNZHBGMNTSH-UHFFFAOYSA-N
Mol Weight 399.51 g/mol
Molecular Formula C21H25N3O3S
Exact Mass 399.161663 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8cqRGhJ3zuB
Name 4-(4-butylphenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
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/C21H25N3O3S/c1-5-6-7-14-8-10-16(11-9-14)24-20(22-23-21(24)28)15-12-17(25-2)19(27-4)18(13-15)26-3/h8-13H,5-7H2,1-4H3,(H,23,28)
InChIKey BCLZNZHBGMNTSH-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18034
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: D31636; Labnumber: VGU-0022025; SBI_ID: SBI-018037
Synonyms 4-(4-butylphenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 318 °C