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1H-tetrazole, 1-(3-chloro-4-methylphenyl)-5-[[(4-fluorophenyl)methyl]thio]-
SpectraBase Compound ID 9Pyq4XcY8EE
InChI InChI=1S/C15H12ClFN4S/c1-10-2-7-13(8-14(10)16)21-15(18-19-20-21)22-9-11-3-5-12(17)6-4-11/h2-8H,9H2,1H3
InChIKey XGVSRPXSVWHMBT-UHFFFAOYSA-N
Mol Weight 334.8 g/mol
Molecular Formula C15H12ClFN4S
Exact Mass 334.045523 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FNZPI94v0AB
Name 1H-tetrazole, 1-(3-chloro-4-methylphenyl)-5-[[(4-fluorophenyl)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 334.045523439 u
Formula C15H12ClFN4S
InChI InChI=1S/C15H12ClFN4S/c1-10-2-7-13(8-14(10)16)21-15(18-19-20-21)22-9-11-3-5-12(17)6-4-11/h2-8H,9H2,1H3
InChIKey XGVSRPXSVWHMBT-UHFFFAOYSA-N
Molecular Weight 334.800 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10243
Solvent DMSO-d6
Source Vendor ID: NMR/10241574; Lab Info: SAD; Lab Number: 1887
Temperature 23.85 °C