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

*Links on SpectraBase are not permalinks.
2-({4-allyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-[1,1'-biphenyl]-4-ylethanone
SpectraBase Compound ID GnlpgCmGmrz
InChI InChI=1S/C27H25N3O2S/c1-3-17-30-26(18-32-24-15-9-20(2)10-16-24)28-29-27(30)33-19-25(31)23-13-11-22(12-14-23)21-7-5-4-6-8-21/h3-16H,1,17-19H2,2H3
InChIKey PFACFVKZFDAFCU-UHFFFAOYSA-N
Mol Weight 455.58 g/mol
Molecular Formula C27H25N3O2S
Exact Mass 455.166748 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 IoPXAt9YDcK
Name 2-({4-allyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-[1,1'-biphenyl]-4-ylethanone
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/C27H25N3O2S/c1-3-17-30-26(18-32-24-15-9-20(2)10-16-24)28-29-27(30)33-19-25(31)23-13-11-22(12-14-23)21-7-5-4-6-8-21/h3-16H,1,17-19H2,2H3
InChIKey PFACFVKZFDAFCU-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11736
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: E08678; Labnumber: GRES-37341; SBI_ID: SBI-011739
Temperature 308 °C