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1,3,4-benzoxadiazepin-5-ol, 2-[[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]thio]methyl]-
SpectraBase Compound ID 2zZ4jFqNoKr
InChI InChI=1S/C18H13FN4O2S2/c19-12-7-5-11(6-8-12)9-16-21-23-18(27-16)26-10-15-20-22-17(24)13-3-1-2-4-14(13)25-15/h1-8H,9-10H2,(H,22,24)
InChIKey KHSLZSAHYXRITK-UHFFFAOYSA-N
Mol Weight 400.45 g/mol
Molecular Formula C18H13FN4O2S2
Exact Mass 400.046396 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C2GMGoUyvrJ
Name 1,3,4-benzoxadiazepin-5-ol, 2-[[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-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/C18H13FN4O2S2/c19-12-7-5-11(6-8-12)9-16-21-23-18(27-16)26-10-15-20-22-17(24)13-3-1-2-4-14(13)25-15/h1-8H,9-10H2,(H,22,24)
InChIKey KHSLZSAHYXRITK-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_10218
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: F36823; Labnumber: YAKV-43311
Temperature 315 °C