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4H-1,2,4-triazole-3-thiol, 4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-
SpectraBase Compound ID EeTnlQEySqd
InChI InChI=1S/C17H23N3O3S/c1-21-13-9-11(10-14(22-2)15(13)23-3)16-18-19-17(24)20(16)12-7-5-4-6-8-12/h9-10,12H,4-8H2,1-3H3,(H,19,24)
InChIKey RVGXNGRYLSLIIC-UHFFFAOYSA-N
Mol Weight 349.45 g/mol
Molecular Formula C17H23N3O3S
Exact Mass 349.146013 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EAyUjNVKUJ1
Name 4H-1,2,4-triazole-3-thiol, 4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 349.146012784 u
Formula C17H23N3O3S
InChI InChI=1S/C17H23N3O3S/c1-21-13-9-11(10-14(22-2)15(13)23-3)16-18-19-17(24)20(16)12-7-5-4-6-8-12/h9-10,12H,4-8H2,1-3H3,(H,19,24)
InChIKey RVGXNGRYLSLIIC-UHFFFAOYSA-N
Molecular Weight 349.449 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1760
Solvent DMSO-d6
Source Vendor ID: ZI/8178549; Lab Info: IBM; Lab Number: IBM-d800020
Temperature 29.85 °C