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2-{[1-(4-ethoxyphenyl)-1H-tetraazol-5-yl]sulfanyl}-1-mesitylethanone
SpectraBase Compound ID JVp2AxQ8itw
InChI InChI=1S/C20H22N4O2S/c1-5-26-17-8-6-16(7-9-17)24-20(21-22-23-24)27-12-18(25)19-14(3)10-13(2)11-15(19)4/h6-11H,5,12H2,1-4H3
InChIKey JRQLVDBSXLYEDF-UHFFFAOYSA-N
Mol Weight 382.48 g/mol
Molecular Formula C20H22N4O2S
Exact Mass 382.146347 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9LX0zQTk3WK
Name 2-{[1-(4-ethoxyphenyl)-1H-tetraazol-5-yl]sulfanyl}-1-mesitylethanone
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/C20H22N4O2S/c1-5-26-17-8-6-16(7-9-17)24-20(21-22-23-24)27-12-18(25)19-14(3)10-13(2)11-15(19)4/h6-11H,5,12H2,1-4H3
InChIKey JRQLVDBSXLYEDF-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9810
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: 128544; Labnumber: EX00112549; VK_ID: VK-009814
Temperature 315 °C