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2-(1,3-Benzothiazol-2-yl)-5-methyl-5-(5-methyl-1,3-dioxan-5-yl)-1,2,4-triazolidine-3-thione

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2-(1,3-Benzothiazol-2-yl)-5-methyl-5-(5-methyl-1,3-dioxan-5-yl)-1,2,4-triazolidine-3-thione
SpectraBase Compound ID CIF1VN91o1
InChI InChI=1S/C15H18N4O2S2/c1-14(7-20-9-21-8-14)15(2)17-12(22)19(18-15)13-16-10-5-3-4-6-11(10)23-13/h3-6,18H,7-9H2,1-2H3,(H,17,22)
InChIKey QOCDATDVWLZPNB-UHFFFAOYSA-N
Mol Weight 350.46 g/mol
Molecular Formula C15H18N4O2S2
Exact Mass 350.087118 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2xavxpHnWO
Name 1,2,4-triazolidine-3-thione, 2-(2-benzothiazolyl)-5-methyl-5-(5-methyl-1,3-dioxan-5-yl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.087118182 u
Formula C15H18N4O2S2
InChI InChI=1S/C15H18N4O2S2/c1-14(7-20-9-21-8-14)15(2)17-12(22)19(18-15)13-16-10-5-3-4-6-11(10)23-13/h3-6,18H,7-9H2,1-2H3,(H,17,22)
InChIKey QOCDATDVWLZPNB-UHFFFAOYSA-N
Molecular Weight 350.455 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10945
Solvent DMSO-d6
Source Vendor ID: NMR/10251075; Lab Info: LP; Lab Number: LP-0801413