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

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2-({4-allyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethanone
SpectraBase Compound ID 3RoBWhcuuxM
InChI InChI=1S/C22H23N3O3S/c1-4-13-25-21(14-28-19-9-5-16(2)6-10-19)23-24-22(25)29-15-20(26)17-7-11-18(27-3)12-8-17/h4-12H,1,13-15H2,2-3H3
InChIKey IRSPIEHVUWJLAY-UHFFFAOYSA-N
Mol Weight 409.5 g/mol
Molecular Formula C22H23N3O3S
Exact Mass 409.146013 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6MA1I3zkK2v
Name 2-({4-allyl-5-[(4-methylphenoxy)methyl]-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/C22H23N3O3S/c1-4-13-25-21(14-28-19-9-5-16(2)6-10-19)23-24-22(25)29-15-20(26)17-7-11-18(27-3)12-8-17/h4-12H,1,13-15H2,2-3H3
InChIKey IRSPIEHVUWJLAY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11084
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: E05780; Labnumber: GRES-10206; SBI_ID: SBI-011087
Temperature 318 °C