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2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethanone

View entire compound with spectra: 1 NMR

2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethanone
SpectraBase Compound ID 4OXgThzbqtE
InChI InChI=1S/C21H21N3O3S/c1-3-13-24-20(14-27-18-7-5-4-6-8-18)22-23-21(24)28-15-19(25)16-9-11-17(26-2)12-10-16/h3-12H,1,13-15H2,2H3
InChIKey NMSPECUMIPMVLI-UHFFFAOYSA-N
Mol Weight 395.48 g/mol
Molecular Formula C21H21N3O3S
Exact Mass 395.130363 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BpVxjZgLzWb
Name 2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)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/C21H21N3O3S/c1-3-13-24-20(14-27-18-7-5-4-6-8-18)22-23-21(24)28-15-19(25)16-9-11-17(26-2)12-10-16/h3-12H,1,13-15H2,2H3
InChIKey NMSPECUMIPMVLI-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16499
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: UZI/8125894; UBI_ID: UBI-016502
Temperature 308 °C