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6-(15)N-1-ADAMANTYL-3-NITRO-1,4-DIHYDRO-1,2,4-TRIAZOLO-[5.1-C]-1,2,4-TRIAZIN-4-ONE
SpectraBase Compound ID IFsdVBKsTQe
InChI InChI=1S/C14H16N6O3/c21-12-11(20(22)23)17-19(13-15-7-16-18(12)13)14-4-8-1-9(5-14)3-10(2-8)6-14/h7-10H,1-6H2/t8-,9-,10-,14+/i16+1
InChIKey QLSBCFWZNRQPQH-NMJGIPPKSA-N
Mol Weight 317.31 g/mol
Molecular Formula C14H16N515NO3
Exact Mass 317.125423 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6NlRYPj71t8
Name 6-(15)N-1-ADAMANTYL-3-NITRO-1,4-DIHYDRO-1,2,4-TRIAZOLO-[5.1-C]-1,2,4-TRIAZIN-4-ONE
Compound Number III*A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H16N515NO3
InChI InChI=1S/C14H16N6O3/c21-12-11(20(22)23)17-19(13-15-7-16-18(12)13)14-4-8-1-9(5-14)3-10(2-8)6-14/h7-10H,1-6H2/t8-,9-,10-,14+/i16+1
InChIKey QLSBCFWZNRQPQH-NMJGIPPKSA-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 317.313 g/mol
Solvent DMSO-D6