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4H-1,2,4-triazole-3-thiol, 4-methyl-5-[(4-methylphenoxy)methyl]-
SpectraBase Compound ID 4G0NeT6nKFP
InChI InChI=1S/C11H13N3OS/c1-8-3-5-9(6-4-8)15-7-10-12-13-11(16)14(10)2/h3-6H,7H2,1-2H3,(H,13,16)
InChIKey UJGSEVWOQOHWGU-UHFFFAOYSA-N
Mol Weight 235.3 g/mol
Molecular Formula C11H13N3OS
Exact Mass 235.077933 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C7XADze0VDm
Name 4H-1,2,4-triazole-3-thiol, 4-methyl-5-[(4-methylphenoxy)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 235.077933224 u
Formula C11H13N3OS
InChI InChI=1S/C11H13N3OS/c1-8-3-5-9(6-4-8)15-7-10-12-13-11(16)14(10)2/h3-6H,7H2,1-2H3,(H,13,16)
InChIKey UJGSEVWOQOHWGU-UHFFFAOYSA-N
Molecular Weight 235.305 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3787
Solvent DMSO-d6
Source Vendor ID: NMR/9264570; Lab Info: PE; Lab Number: PE-00000T6
Temperature 29.85 °C