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1,3,4-benzoxadiazepin-5-ol, 2-[[[5-phenyl-4-(2-propenyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-
SpectraBase Compound ID 231OY5oIFVw
InChI InChI=1S/C20H17N5O2S/c1-2-12-25-18(14-8-4-3-5-9-14)22-24-20(25)28-13-17-21-23-19(26)15-10-6-7-11-16(15)27-17/h2-11H,1,12-13H2,(H,23,26)
InChIKey TUVLXHIEZCHLMH-UHFFFAOYSA-N
Mol Weight 391.45 g/mol
Molecular Formula C20H17N5O2S
Exact Mass 391.110296 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FodvPohuxOq
Name 1,3,4-benzoxadiazepin-5-ol, 2-[[[5-phenyl-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/C20H17N5O2S/c1-2-12-25-18(14-8-4-3-5-9-14)22-24-20(25)28-13-17-21-23-19(26)15-10-6-7-11-16(15)27-17/h2-11H,1,12-13H2,(H,23,26)
InChIKey TUVLXHIEZCHLMH-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_10216
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: F36821; Labnumber: YAKV-43158
Temperature 315 °C