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5-[(2-chlorobenzyl)thio]-1H-1,2,4-triazole

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5-[(2-chlorobenzyl)thio]-1H-1,2,4-triazole
SpectraBase Compound ID DPwIaP1hGHe
InChI InChI=1S/C9H8ClN3S/c10-8-4-2-1-3-7(8)5-14-9-11-6-12-13-9/h1-4,6H,5H2,(H,11,12,13)
InChIKey VFVGHCLXBZSMAE-UHFFFAOYSA-N
Mol Weight 225.7 g/mol
Molecular Formula C9H8ClN3S
Exact Mass 225.012746 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AR1bAxSfqQh
Name 1H-1,2,4-triazole, 5-[[(2-chlorophenyl)methyl]thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 225.012746144 u
Formula C9H8ClN3S
InChI InChI=1S/C9H8ClN3S/c10-8-4-2-1-3-7(8)5-14-9-11-6-12-13-9/h1-4,6H,5H2,(H,11,12,13)
InChIKey VFVGHCLXBZSMAE-UHFFFAOYSA-N
Molecular Weight 225.697 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16639
Solvent DMSO-d6
Source Vendor ID: NMR/10322964; Lab Info: KE; Lab Number: KE-0000009