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5-(2,4-Dichloro-phenoxymethyl)-4-O-tolyl-4H-[1,2,4]triazole-3-thiol

View entire compound with spectra: 2 NMR, and 1 MS (GC)

5-(2,4-Dichloro-phenoxymethyl)-4-O-tolyl-4H-[1,2,4]triazole-3-thiol
SpectraBase Compound ID Jpg39AmcTxb
InChI InChI=1S/C16H13Cl2N3OS/c1-10-4-2-3-5-13(10)21-15(19-20-16(21)23)9-22-14-7-6-11(17)8-12(14)18/h2-8H,9H2,1H3,(H,20,23)
InChIKey KFRUUBYTSWPSKB-UHFFFAOYSA-N
Mol Weight 366.27 g/mol
Molecular Formula C16H13Cl2N3OS
Exact Mass 365.015639 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9VGGR8IWMbj
Name 4H-1,2,4-triazole-3-thiol, 5-[(2,4-dichlorophenoxy)methyl]-4-(2-methylphenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 365.015638624 u
Formula C16H13Cl2N3OS
InChI InChI=1S/C16H13Cl2N3OS/c1-10-4-2-3-5-13(10)21-15(19-20-16(21)23)9-22-14-7-6-11(17)8-12(14)18/h2-8H,9H2,1H3,(H,20,23)
InChIKey KFRUUBYTSWPSKB-UHFFFAOYSA-N
Molecular Weight 366.266 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15166
Solvent DMSO-d6
Source Vendor ID: NMR/10301683; Lab Info: OBK; Lab Number: OBK-0003664