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2-Morpholin-4-ylmethyl-5-p-tolyl-2,4-dihydro-[1,2,4]triazole-3-thione

View entire compound with spectra: 2 NMR, and 1 MS (GC)

2-Morpholin-4-ylmethyl-5-p-tolyl-2,4-dihydro-[1,2,4]triazole-3-thione
SpectraBase Compound ID IEZawZBRMCq
InChI InChI=1S/C14H18N4OS/c1-11-2-4-12(5-3-11)13-15-14(20)18(16-13)10-17-6-8-19-9-7-17/h2-5H,6-10H2,1H3,(H,15,16,20)
InChIKey PTEGRIOYBVMQCE-UHFFFAOYSA-N
Mol Weight 290.38 g/mol
Molecular Formula C14H18N4OS
Exact Mass 290.120132 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7FHJbIOyIbd
Name 2-Morpholin-4-ylmethyl-5-p-tolyl-2,4-dihydro-[1,2,4]triazole-3-thione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.120132389 u
Formula C14H18N4OS
InChI InChI=1S/C14H18N4OS/c1-11-2-4-12(5-3-11)13-15-14(20)18(16-13)10-17-6-8-19-9-7-17/h2-5H,6-10H2,1H3,(H,15,16,20)
InChIKey PTEGRIOYBVMQCE-UHFFFAOYSA-N
Molecular Weight 290.385 g/mol
SMILES CC1=CC=C(C=2NC(N(CN3CCOCC3)N2)=S)C=C1