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4H-1,2,4-triazole-3-thiol, 5-[(4-chlorophenyl)methyl]-4-methyl-
SpectraBase Compound ID 5Qq5yVgGuAX
InChI InChI=1S/C10H10ClN3S/c1-14-9(12-13-10(14)15)6-7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,13,15)
InChIKey BSSOKTNUYBQAIX-UHFFFAOYSA-N
Mol Weight 239.72 g/mol
Molecular Formula C10H10ClN3S
Exact Mass 239.028396 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EAHNyjY9SH3
Name 4H-1,2,4-triazole-3-thiol, 5-[(4-chlorophenyl)methyl]-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 239.028396208 u
Formula C10H10ClN3S
InChI InChI=1S/C10H10ClN3S/c1-14-9(12-13-10(14)15)6-7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,13,15)
InChIKey BSSOKTNUYBQAIX-UHFFFAOYSA-N
Molecular Weight 239.724 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4164
Solvent DMSO-d6
Source Vendor ID: NMR/9215860; Lab Info: LP; Lab Number: LP-2190234
Temperature 29.85 °C