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1,3,4-benzoxadiazepin-5-ol, 2-[[[5-(4-methoxyphenyl)-4-(2-propenyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-
SpectraBase Compound ID LLCC5sp32iX
InChI InChI=1S/C21H19N5O3S/c1-3-12-26-19(14-8-10-15(28-2)11-9-14)23-25-21(26)30-13-18-22-24-20(27)16-6-4-5-7-17(16)29-18/h3-11H,1,12-13H2,2H3,(H,24,27)
InChIKey KYBRFGXAGFHRFA-UHFFFAOYSA-N
Mol Weight 421.48 g/mol
Molecular Formula C21H19N5O3S
Exact Mass 421.120861 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3tLB7RJw3m5
Name 1,3,4-benzoxadiazepin-5-ol, 2-[[[5-(4-methoxyphenyl)-4-(2-propenyl)-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/C21H19N5O3S/c1-3-12-26-19(14-8-10-15(28-2)11-9-14)23-25-21(26)30-13-18-22-24-20(27)16-6-4-5-7-17(16)29-18/h3-11H,1,12-13H2,2H3,(H,24,27)
InChIKey KYBRFGXAGFHRFA-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_10207
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: F36812; Labnumber: YAKV-42852
Temperature 315 °C