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1,3,4-benzoxadiazepin-5-ol, 2-[[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio]methyl]-
SpectraBase Compound ID ACWztKWyMvG
InChI InChI=1S/C18H15N5O2S/c1-12-19-22-18(23(12)13-7-3-2-4-8-13)26-11-16-20-21-17(24)14-9-5-6-10-15(14)25-16/h2-10H,11H2,1H3,(H,21,24)
InChIKey FYMOBMUCJWNQSK-UHFFFAOYSA-N
Mol Weight 365.41 g/mol
Molecular Formula C18H15N5O2S
Exact Mass 365.094646 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 76PMlaEHZ1S
Name 1,3,4-benzoxadiazepin-5-ol, 2-[[(5-methyl-4-phenyl-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/C18H15N5O2S/c1-12-19-22-18(23(12)13-7-3-2-4-8-13)26-11-16-20-21-17(24)14-9-5-6-10-15(14)25-16/h2-10H,11H2,1H3,(H,21,24)
InChIKey FYMOBMUCJWNQSK-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_10176
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: F36776; Labnumber: YAKV-40557