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5-Methyl-5-(5-methyl-[1,3]dioxan-5-yl)-2-phenyl-[1,2,4]triazolidine-3-thione
SpectraBase Compound ID 3sAF3cmpYzJ
InChI InChI=1S/C14H19N3O2S/c1-13(8-18-10-19-9-13)14(2)15-12(20)17(16-14)11-6-4-3-5-7-11/h3-7,16H,8-10H2,1-2H3,(H,15,20)
InChIKey HRTMOJDRNZUQMX-UHFFFAOYSA-N
Mol Weight 293.38 g/mol
Molecular Formula C14H19N3O2S
Exact Mass 293.119798 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CSDBHVfKyb
Name 1,2,4-triazolidine-3-thione, 5-methyl-5-(5-methyl-1,3-dioxan-5-yl)-2-phenyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 293.119798036 u
Formula C14H19N3O2S
InChI InChI=1S/C14H19N3O2S/c1-13(8-18-10-19-9-13)14(2)15-12(20)17(16-14)11-6-4-3-5-7-11/h3-7,16H,8-10H2,1-2H3,(H,15,20)
InChIKey HRTMOJDRNZUQMX-UHFFFAOYSA-N
Molecular Weight 293.385 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14538
Solvent DMSO-d6
Source Vendor ID: NMR/10251074; Lab Info: LP; Lab Number: LP-0801412