For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]acetohydrazide

View entire compound with spectra: 1 NMR

2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]acetohydrazide
SpectraBase Compound ID H1pFswnA5Fh
InChI InChI=1S/C28H27ClFN5O2S/c1-28(2,3)19-10-8-18(9-11-19)26-33-34-27(35(26)20-12-14-21(37-4)15-13-20)38-17-25(36)32-31-16-22-23(29)6-5-7-24(22)30/h5-16H,17H2,1-4H3,(H,32,36)/b31-16+
InChIKey ZGZXNFPXWOTJIX-WCMJOSRZSA-N
Mol Weight 552.07 g/mol
Molecular Formula C28H27ClFN5O2S
Exact Mass 551.155802 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1nChD7ZFzeE
Name 2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]acetohydrazide
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/C28H27ClFN5O2S/c1-28(2,3)19-10-8-18(9-11-19)26-33-34-27(35(26)20-12-14-21(37-4)15-13-20)38-17-25(36)32-31-16-22-23(29)6-5-7-24(22)30/h5-16H,17H2,1-4H3,(H,32,36)/b31-16+
InChIKey ZGZXNFPXWOTJIX-WCMJOSRZSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6675
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: D23925; Labnumber: GRES-01649; SBI_ID: SBI-006678
Synonyms 2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2-chloro-6-fluorophenyl)methylidene]acetohydrazide
Temperature 318 °C