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1-(benzylsulfanyl)-4-(4-methylphenyl)-7,8,9,10-tetrahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
SpectraBase Compound ID edvi0wJQUX
InChI InChI=1S/C26H24N4OS2/c1-17-12-14-19(15-13-17)29-23(31)22-20-10-6-3-7-11-21(20)33-24(22)30-25(29)27-28-26(30)32-16-18-8-4-2-5-9-18/h2,4-5,8-9,12-15H,3,6-7,10-11,16H2,1H3
InChIKey PVQNKNQSCMVNHK-UHFFFAOYSA-N
Mol Weight 472.63 g/mol
Molecular Formula C26H24N4OS2
Exact Mass 472.139154 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7SEoMwJM65p
Name 1-(benzylsulfanyl)-4-(4-methylphenyl)-7,8,9,10-tetrahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C26H24N4OS2/c1-17-12-14-19(15-13-17)29-23(31)22-20-10-6-3-7-11-21(20)33-24(22)30-25(29)27-28-26(30)32-16-18-8-4-2-5-9-18/h2,4-5,8-9,12-15H,3,6-7,10-11,16H2,1H3
InChIKey PVQNKNQSCMVNHK-UHFFFAOYSA-N
NMR Offset 15.3548
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UBI-VK_18310_12134
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: 801161; Labnumber: AE95-701; VK_ID: VK-012139
Temperature 318 °C