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4-({[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetyl}amino)phenyl thiocyanate

View entire compound with spectra: 2 NMR

4-({[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetyl}amino)phenyl thiocyanate
SpectraBase Compound ID IJqxUwPi7Jg
InChI InChI=1S/C16H12N6OS2/c17-11-25-14-8-6-12(7-9-14)18-15(23)10-24-16-19-20-21-22(16)13-4-2-1-3-5-13/h1-9H,10H2,(H,18,23)
InChIKey AYZBNBYSEWKRTR-UHFFFAOYSA-N
Mol Weight 368.43 g/mol
Molecular Formula C16H12N6OS2
Exact Mass 368.051401 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ICvZXlxaENC
Name thiocyanic acid, 4-[[[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl]amino]phenyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 368.051401377 u
Formula C16H12N6OS2
InChI InChI=1S/C16H12N6OS2/c17-11-25-14-8-6-12(7-9-14)18-15(23)10-24-16-19-20-21-22(16)13-4-2-1-3-5-13/h1-9H,10H2,(H,18,23)
InChIKey AYZBNBYSEWKRTR-UHFFFAOYSA-N
Molecular Weight 368.433 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_18060
Solvent DMSO-d6
Source Vendor ID: NMR/10301700; Lab Info: KTS; Lab Number: KTS-0000834