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}-N-(4-bromophenyl)acetamide

View entire compound with spectra: 1 NMR

2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromophenyl)acetamide
SpectraBase Compound ID G86s0X7vbXu
InChI InChI=1S/C20H19BrN4O2S/c1-2-12-25-18(13-27-17-6-4-3-5-7-17)23-24-20(25)28-14-19(26)22-16-10-8-15(21)9-11-16/h2-11H,1,12-14H2,(H,22,26)
InChIKey IOSFJSONGAUOOB-UHFFFAOYSA-N
Mol Weight 459.36 g/mol
Molecular Formula C20H19BrN4O2S
Exact Mass 458.04121 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 Luk4aiqZh1D
Name 2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromophenyl)acetamide
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/C20H19BrN4O2S/c1-2-12-25-18(13-27-17-6-4-3-5-7-17)23-24-20(25)28-14-19(26)22-16-10-8-15(21)9-11-16/h2-11H,1,12-14H2,(H,22,26)
InChIKey IOSFJSONGAUOOB-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11134
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: E06133; Labnumber: GRES-16685; SBI_ID: SBI-011137
Temperature 306 °C