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4-benzyl-1-[(2,4-dimethylbenzyl)sulfanyl]-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
SpectraBase Compound ID KjqxcAadqMR
InChI InChI=1S/C27H26N4OS2/c1-17-12-13-20(18(2)14-17)16-33-27-29-28-26-30(15-19-8-4-3-5-9-19)24(32)23-21-10-6-7-11-22(21)34-25(23)31(26)27/h3-5,8-9,12-14H,6-7,10-11,15-16H2,1-2H3
InChIKey AHQZHVMSCAPBEX-UHFFFAOYSA-N
Mol Weight 486.65 g/mol
Molecular Formula C27H26N4OS2
Exact Mass 486.154804 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DepbBOC6eQb
Name 4-benzyl-1-[(2,4-dimethylbenzyl)sulfanyl]-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-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/C27H26N4OS2/c1-17-12-13-20(18(2)14-17)16-33-27-29-28-26-30(15-19-8-4-3-5-9-19)24(32)23-21-10-6-7-11-22(21)34-25(23)31(26)27/h3-5,8-9,12-14H,6-7,10-11,15-16H2,1-2H3
InChIKey AHQZHVMSCAPBEX-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_362
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: S02709AE95-305; Labnumber: S02709AE95-305; VK_ID: VK-000363
Temperature 313 °C