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1,2,5-Oxadiazol-3-amine, 4-[5-(3-chloro-2-benzothienyl)-1,2,4-oxadiazol-3-yl]-
SpectraBase Compound ID DAVQTi0OsJ5
InChI InChI=1S/C12H6ClN5O2S/c13-7-5-3-1-2-4-6(5)21-9(7)12-15-11(18-19-12)8-10(14)17-20-16-8/h1-4H,(H2,14,17)
InChIKey XDZMTQJCBFIQLY-UHFFFAOYSA-N
Mol Weight 319.73 g/mol
Molecular Formula C12H6ClN5O2S
Exact Mass 318.993073 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5TfJ2hJb79m
Name 1,2,5-oxadiazol-3-amine, 4-[5-(3-chlorobenzo[b]thien-2-yl)-1,2,4-oxadiazol-3-yl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.993073325 u
Formula C12H6ClN5O2S
InChI InChI=1S/C12H6ClN5O2S/c13-7-5-3-1-2-4-6(5)21-9(7)12-15-11(18-19-12)8-10(14)17-20-16-8/h1-4H,(H2,14,17)
InChIKey XDZMTQJCBFIQLY-UHFFFAOYSA-N
Molecular Weight 319.726 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11777
Solvent DMSO-d6
Source Vendor ID: NMR/10241911; Lab Info: PNA; Lab Number: PNA-NA00052