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

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2-{[4-allyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1,2-diphenylethanone
SpectraBase Compound ID LA4QJxjdnlc
InChI InChI=1S/C26H23N3O2S/c1-3-18-29-25(21-16-10-11-17-22(21)31-2)27-28-26(29)32-24(20-14-8-5-9-15-20)23(30)19-12-6-4-7-13-19/h3-17,24H,1,18H2,2H3
InChIKey ZLPXLILHGYTHOS-UHFFFAOYSA-N
Mol Weight 441.55 g/mol
Molecular Formula C26H23N3O2S
Exact Mass 441.151098 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HZDcndP3Y8B
Name 2-{[4-allyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1,2-diphenylethanone
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/C26H23N3O2S/c1-3-18-29-25(21-16-10-11-17-22(21)31-2)27-28-26(29)32-24(20-14-8-5-9-15-20)23(30)19-12-6-4-7-13-19/h3-17,24H,1,18H2,2H3
InChIKey ZLPXLILHGYTHOS-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_158
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: C26376; Labnumber: VGU-16254; SBI_ID: SBI-000160
Temperature 315 °C