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4-({5-[(2-methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-3-nitro-2H-chromen-2-one
SpectraBase Compound ID 6f2wExfNQ6n
InChI InChI=1S/C25H18N4O5S/c1-16-9-5-7-13-19(16)33-15-21-26-27-25(28(21)17-10-3-2-4-11-17)35-23-18-12-6-8-14-20(18)34-24(30)22(23)29(31)32/h2-14H,15H2,1H3
InChIKey VCUXPGNFYBXOEC-UHFFFAOYSA-N
Mol Weight 486.5 g/mol
Molecular Formula C25H18N4O5S
Exact Mass 486.099791 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4sxUxhog7q5
Name 4-({5-[(2-methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-3-nitro-2H-chromen-2-one
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/C25H18N4O5S/c1-16-9-5-7-13-19(16)33-15-21-26-27-25(28(21)17-10-3-2-4-11-17)35-23-18-12-6-8-14-20(18)34-24(30)22(23)29(31)32/h2-14H,15H2,1H3
InChIKey VCUXPGNFYBXOEC-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_1968
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: NMR/9290274; Labnumber: LP-2191195
Temperature 303 °C