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3-tert-butyl-7-{[2-(4-cyclohexylphenyl)-2-oxoethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
SpectraBase Compound ID HwUH5Pq37FF
InChI InChI=1S/C22H26N4O2S2/c1-22(2,3)18-19(28)26-20(24-23-18)30-21(25-26)29-13-17(27)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h9-12,14H,4-8,13H2,1-3H3
InChIKey IDCPIRCMGZBLBV-UHFFFAOYSA-N
Mol Weight 442.6 g/mol
Molecular Formula C22H26N4O2S2
Exact Mass 442.149718 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C9tseBrpe82
Name 3-tert-butyl-7-{[2-(4-cyclohexylphenyl)-2-oxoethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-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/C22H26N4O2S2/c1-22(2,3)18-19(28)26-20(24-23-18)30-21(25-26)29-13-17(27)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h9-12,14H,4-8,13H2,1-3H3
InChIKey IDCPIRCMGZBLBV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_5880
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: 121774; Labnumber: EX00112064; VK_ID: VK-005883
Temperature 318 °C