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3H-1,2,4-triazole-3-thione, 2-[(hexahydro-1H-azepin-1-yl)methyl]-2,4-dihydro-5-(4-methoxyphenyl)-4-phenyl-
SpectraBase Compound ID 7XwK6v2apwY
InChI InChI=1S/C22H26N4OS/c1-27-20-13-11-18(12-14-20)21-23-25(17-24-15-7-2-3-8-16-24)22(28)26(21)19-9-5-4-6-10-19/h4-6,9-14H,2-3,7-8,15-17H2,1H3
InChIKey ZJTNSYUZTRNFLE-UHFFFAOYSA-N
Mol Weight 394.54 g/mol
Molecular Formula C22H26N4OS
Exact Mass 394.182733 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EzzE7yd9h7S
Name 3H-1,2,4-triazole-3-thione, 2-[(hexahydro-1H-azepin-1-yl)methyl]-2,4-dihydro-5-(4-methoxyphenyl)-4-phenyl-
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/C22H26N4OS/c1-27-20-13-11-18(12-14-20)21-23-25(17-24-15-7-2-3-8-16-24)22(28)26(21)19-9-5-4-6-10-19/h4-6,9-14H,2-3,7-8,15-17H2,1H3
InChIKey ZJTNSYUZTRNFLE-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_CB_8313_893
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: NMR/8211026; Labnumber: LP-2171382
Temperature 297 °C