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6-METHYL-2-MORPHOLINO-5,6,8,9-TETRAHYDRO-[1,2,4]-TRIAZOLO-[1,5-D]-[1,2,4,6]-TETRAZEPINE-5-7H-THIONE-8-SPIRO-1'-CYClOHEPTANE

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6-METHYL-2-MORPHOLINO-5,6,8,9-TETRAHYDRO-[1,2,4]-TRIAZOLO-[1,5-D]-[1,2,4,6]-TETRAZEPINE-5-7H-THIONE-8-SPIRO-1'-CYClOHEPTANE
SpectraBase Compound ID Bg7LKl3J10s
InChI InChI=1S/C15H25N7OS/c1-20-14(24)22-12(16-13(18-22)21-8-10-23-11-9-21)17-15(19-20)6-4-2-3-5-7-15/h19H,2-11H2,1H3,(H,16,17,18)
InChIKey SEXUOIMKFDFOLF-UHFFFAOYSA-N
Mol Weight 351.47 g/mol
Molecular Formula C15H25N7OS
Exact Mass 351.18413 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LI1onPzgZg
Name 6-METHYL-2-MORPHOLINO-5,6,8,9-TETRAHYDRO-[1,2,4]-TRIAZOLO-[1,5-D]-[1,2,4,6]-TETRAZEPINE-5-7H-THIONE-8-SPIRO-1'-CYClOHEPTANE
Compound Number 7/5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H25N7OS
InChI InChI=1S/C15H25N7OS/c1-20-14(24)22-12(16-13(18-22)21-8-10-23-11-9-21)17-15(19-20)6-4-2-3-5-7-15/h19H,2-11H2,1H3,(H,16,17,18)
InChIKey SEXUOIMKFDFOLF-UHFFFAOYSA-N
Literature Reference Author J.BARKOCZY,E.SZABO,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,30,1019(1993)
Literature Reference DOI 10.1002/jhet.5570300430
Molecular Weight 351.470 g/mol
Solvent CDCl3
Source File Reference UWGE865