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1-[3-({[4-allyl-5-(1-benzofuran-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-methoxyphenyl]ethanone
SpectraBase Compound ID FmGb2Sf4Pmg
InChI InChI=1S/C23H21N3O3S/c1-4-11-26-22(21-13-17-7-5-6-8-20(17)29-21)24-25-23(26)30-14-18-12-16(15(2)27)9-10-19(18)28-3/h4-10,12-13H,1,11,14H2,2-3H3
InChIKey UUASBTMWUIPXGB-UHFFFAOYSA-N
Mol Weight 419.5 g/mol
Molecular Formula C23H21N3O3S
Exact Mass 419.130363 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HDmJbeFisj1
Name 1-[3-({[4-allyl-5-(1-benzofuran-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-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/C23H21N3O3S/c1-4-11-26-22(21-13-17-7-5-6-8-20(17)29-21)24-25-23(26)30-14-18-12-16(15(2)27)9-10-19(18)28-3/h4-10,12-13H,1,11,14H2,2-3H3
InChIKey UUASBTMWUIPXGB-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26641
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: D63713; Labnumber: AEKA03-0152; SBI_ID: SBI-026645
Temperature 315 °C