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3-tert-butyl-7-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
SpectraBase Compound ID CuzKKZCDL82
InChI InChI=1S/C16H15ClN4O2S2/c1-16(2,3)12-13(23)21-14(19-18-12)25-15(20-21)24-8-11(22)9-4-6-10(17)7-5-9/h4-7H,8H2,1-3H3
InChIKey BJHLEFAVVHWIGG-UHFFFAOYSA-N
Mol Weight 394.9 g/mol
Molecular Formula C16H15ClN4O2S2
Exact Mass 394.032496 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5HzLtV0HzGB
Name 3-tert-butyl-7-{[2-(4-chlorophenyl)-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/C16H15ClN4O2S2/c1-16(2,3)12-13(23)21-14(19-18-12)25-15(20-21)24-8-11(22)9-4-6-10(17)7-5-9/h4-7H,8H2,1-3H3
InChIKey BJHLEFAVVHWIGG-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9771
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: 128497; Labnumber: EX00112065; VK_ID: VK-009775
Temperature 318 °C