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4H-1,2,4-triazole-3-thiol, 5-(5-chloro-2-methoxyphenyl)-4-phenyl-
SpectraBase Compound ID 6naBxVf55iS
InChI InChI=1S/C15H12ClN3OS/c1-20-13-8-7-10(16)9-12(13)14-17-18-15(21)19(14)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,21)
InChIKey CZZOAQXLDWWTKK-UHFFFAOYSA-N
Mol Weight 317.79 g/mol
Molecular Formula C15H12ClN3OS
Exact Mass 317.038961 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5ElpMwK2ppt
Name 4H-1,2,4-triazole-3-thiol, 5-(5-chloro-2-methoxyphenyl)-4-phenyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.038960891 u
Formula C15H12ClN3OS
InChI InChI=1S/C15H12ClN3OS/c1-20-13-8-7-10(16)9-12(13)14-17-18-15(21)19(14)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,21)
InChIKey CZZOAQXLDWWTKK-UHFFFAOYSA-N
Molecular Weight 317.794 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6740
Solvent DMSO-d6
Source Vendor ID: NMR/10220354; Lab Info: OBK; Lab Number: OBK-0003599
Temperature 23.85 °C