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1-methyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1,3-dihydro-2H-benzimidazole-2-thione
SpectraBase Compound ID HxN3QNzE6Kx
InChI InChI=1S/C16H19N5S/c1-19-12-7-4-5-8-13(12)21(16(19)22)11-15-18-17-14-9-3-2-6-10-20(14)15/h4-5,7-8H,2-3,6,9-11H2,1H3
InChIKey JPZXVJKDPRFVKK-UHFFFAOYSA-N
Mol Weight 313.42 g/mol
Molecular Formula C16H19N5S
Exact Mass 313.136117 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2YMHR7BmA96
Name 1-methyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1,3-dihydro-2H-benzimidazole-2-thione
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/C16H19N5S/c1-19-12-7-4-5-8-13(12)21(16(19)22)11-15-18-17-14-9-3-2-6-10-20(14)15/h4-5,7-8H,2-3,6,9-11H2,1H3
InChIKey JPZXVJKDPRFVKK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_17629
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: 987/00005877; Labnumber: 987/00005877218872; VK_ID: VK-017634
Temperature 318 °C