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

*Links on SpectraBase are not permalinks.
2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethanone
SpectraBase Compound ID 7deTkOrzb3h
InChI InChI=1S/C20H18ClN3O2S/c1-2-12-24-19(13-26-17-6-4-3-5-7-17)22-23-20(24)27-14-18(25)15-8-10-16(21)11-9-15/h2-11H,1,12-14H2
InChIKey XXEBBYSTLZNJEO-UHFFFAOYSA-N
Mol Weight 399.9 g/mol
Molecular Formula C20H18ClN3O2S
Exact Mass 399.080826 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 9SAg2op8AyP
Name 2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethanone
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/C20H18ClN3O2S/c1-2-12-24-19(13-26-17-6-4-3-5-7-17)22-23-20(24)27-14-18(25)15-8-10-16(21)11-9-15/h2-11H,1,12-14H2
InChIKey XXEBBYSTLZNJEO-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11271
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: E06561; Labnumber: GRES-24724; SBI_ID: SBI-011274
Temperature 308 °C