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1,3,4-benzoxadiazepin-5-ol, 2-[[[4-(2-propenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-
SpectraBase Compound ID VaGd6o225b
InChI InChI=1S/C19H16N6O2S/c1-2-11-25-17(13-7-9-20-10-8-13)22-24-19(25)28-12-16-21-23-18(26)14-5-3-4-6-15(14)27-16/h2-10H,1,11-12H2,(H,23,26)
InChIKey OWKMAJMIVQGHKL-UHFFFAOYSA-N
Mol Weight 392.44 g/mol
Molecular Formula C19H16N6O2S
Exact Mass 392.105545 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HUqu3ulnZcj
Name 1,3,4-benzoxadiazepin-5-ol, 2-[[[4-(2-propenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-
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/C19H16N6O2S/c1-2-11-25-17(13-7-9-20-10-8-13)22-24-19(25)28-12-16-21-23-18(26)14-5-3-4-6-15(14)27-16/h2-10H,1,11-12H2,(H,23,26)
InChIKey OWKMAJMIVQGHKL-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_10220
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: F36825; Labnumber: YAKV-43464
Temperature 315 °C