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3-[(2-Chloro-4-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazole
SpectraBase Compound ID EdzQc0iISGt
InChI InChI=1S/C10H9ClFN3S/c1-15-6-13-14-10(15)16-5-7-2-3-8(12)4-9(7)11/h2-4,6H,5H2,1H3
InChIKey VZLVYRTWDJZQSB-UHFFFAOYSA-N
Mol Weight 257.71 g/mol
Molecular Formula C10H9ClFN3S
Exact Mass 257.018974 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EGoEBzbKvRI
Name 4H-1,2,4-triazole, 3-[[(2-chloro-4-fluorophenyl)methyl]thio]-4-methyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 257.018974339 u
Formula C10H9ClFN3S
InChI InChI=1S/C10H9ClFN3S/c1-15-6-13-14-10(15)16-5-7-2-3-8(12)4-9(7)11/h2-4,6H,5H2,1H3
InChIKey VZLVYRTWDJZQSB-UHFFFAOYSA-N
Molecular Weight 257.714 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5565
Solvent DMSO-d6
Source Vendor ID: NMR/9322147; Lab Info: PNA; Lab Number: PNA-NA00877
Temperature 29.85 °C