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7-METHYLTHIO-1-ADAMANTYL-3-NITRO-1,4-DIHYDRO-1,2,4-TRIAZOLO-[5.1-C]-1,2,4-TRIAZIN-4-ONE
SpectraBase Compound ID Ai9e30sv3cX
InChI InChI=1S/C15H18N6O3S/c1-25-13-16-14-19(18-13)12(22)11(21(23)24)17-20(14)15-5-8-2-9(6-15)4-10(3-8)7-15/h8-10H,2-7H2,1H3/t8-,9-,10-,15+
InChIKey MBGYDYGAUUISLL-QQSIETBVSA-N
Mol Weight 362.41 g/mol
Molecular Formula C15H18N6O3S
Exact Mass 362.11611 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hdm9AsqNZwe
Name 7-METHYLTHIO-1-ADAMANTYL-3-NITRO-1,4-DIHYDRO-1,2,4-TRIAZOLO-[5.1-C]-1,2,4-TRIAZIN-4-ONE
Compound Number IIIC
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H18N6O3S
InChI InChI=1S/C15H18N6O3S/c1-25-13-16-14-19(18-13)12(22)11(21(23)24)17-20(14)15-5-8-2-9(6-15)4-10(3-8)7-15/h8-10H,2-7H2,1H3/t8-,9-,10-,15+
InChIKey MBGYDYGAUUISLL-QQSIETBVSA-N
Literature Reference Author E.N.ULOMSKII,S.L.DEEV,A.V.TKACHEV,I.K.MOISEEV,V.L.RUSINOV
Literature Reference Citation RUSS.J.ORG.CHEM.,38,272(2002)
Literature Reference DOI 10.1023/A:1015538322029
Molecular Weight 362.406 g/mol
Solvent DMSO-D6