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

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2-{[4-allyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethanone
SpectraBase Compound ID 5k2xYWflUDw
InChI InChI=1S/C19H18N4O2S/c1-3-11-23-18(15-5-4-10-20-12-15)21-22-19(23)26-13-17(24)14-6-8-16(25-2)9-7-14/h3-10,12H,1,11,13H2,2H3
InChIKey CYGPQKUZOGWGRE-UHFFFAOYSA-N
Mol Weight 366.44 g/mol
Molecular Formula C19H18N4O2S
Exact Mass 366.115047 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H5U0l1RxxQg
Name 2-{[4-allyl-5-(3-pyridinyl)-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/C19H18N4O2S/c1-3-11-23-18(15-5-4-10-20-12-15)21-22-19(23)26-13-17(24)14-6-8-16(25-2)9-7-14/h3-10,12H,1,11,13H2,2H3
InChIKey CYGPQKUZOGWGRE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_12396
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: D74439; Labnumber: GRESKO-1155; SBI_ID: SBI-012399
Temperature 318 °C