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1,4-BUTYLENE-BIS-(5-AMINO-3-MORPHOLINO-1H-1,2,4-TRIAZOL-1-YL)-DITHIOCARBONATE
SpectraBase Compound ID LFOuGg7svee
InChI InChI=1S/C18H28N10O2S4/c19-13-21-15(25-3-7-29-8-4-25)23-27(13)17(31)33-11-1-2-12-34-18(32)28-14(20)22-16(24-28)26-5-9-30-10-6-26/h1-12H2,(H2,19,21,23)(H2,20,22,24)
InChIKey ZMYVDDZNEXGJOL-UHFFFAOYSA-N
Mol Weight 544.7 g/mol
Molecular Formula C18H28N10O2S4
Exact Mass 544.127955 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A6cEoQLctBo
Name 1,4-BUTYLENE-BIS-(5-AMINO-3-MORPHOLINO-1H-1,2,4-TRIAZOL-1-YL)-DITHIOCARBONATE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H28N10O2S4
InChI InChI=1S/C18H28N10O2S4/c19-13-21-15(25-3-7-29-8-4-25)23-27(13)17(31)33-11-1-2-12-34-18(32)28-14(20)22-16(24-28)26-5-9-30-10-6-26/h1-12H2,(H2,19,21,23)(H2,20,22,24)
InChIKey ZMYVDDZNEXGJOL-UHFFFAOYSA-N
Literature Reference Author L.PONGO,P.SOHAR,J.REITER,P.DVORTSAK,G.BUJTAS
Literature Reference Citation J.HETCYCL.CHEM.,31,997(1994)
Literature Reference DOI 10.1002/jhet.5570310450
Molecular Weight 544.726 g/mol
Solvent DMSO-D6:CDCl3
Source File Reference UWCS22288