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2-(3,4-Dimethylphenyl)-5,5-dipropyl-1,2,4-triazolidine-3-thione
SpectraBase Compound ID KqXcNGnmeD0
InChI InChI=1S/C16H25N3S/c1-5-9-16(10-6-2)17-15(20)19(18-16)14-8-7-12(3)13(4)11-14/h7-8,11,18H,5-6,9-10H2,1-4H3,(H,17,20)
InChIKey QXYVHWQVFHZKBK-UHFFFAOYSA-N
Mol Weight 291.46 g/mol
Molecular Formula C16H25N3S
Exact Mass 291.176919 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3uFzf0WOtFg
Name 1,2,4-triazolidine-3-thione, 2-(3,4-dimethylphenyl)-5,5-dipropyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 291.176918991 u
Formula C16H25N3S
InChI InChI=1S/C16H25N3S/c1-5-9-16(10-6-2)17-15(20)19(18-16)14-8-7-12(3)13(4)11-14/h7-8,11,18H,5-6,9-10H2,1-4H3,(H,17,20)
InChIKey QXYVHWQVFHZKBK-UHFFFAOYSA-N
Molecular Weight 291.457 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17609
Solvent DMSO-d6
Source Vendor ID: NMR/10311196; Lab Info: LP; Lab Number: LP-0801508