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6-(1-METHYL-2-NITROCYCLOBUTOXY)-7,7-DINITRO-2-CYANO-5-OXA-6-AZASPIRO-[3.4]-OCTANE;DIASTEREOMER_A;MAXIMUM_DIASTEREOMER
SpectraBase Compound ID 61HzaIRrZTW
InChI InChI=1S/C12H15N5O8/c1-10(3-2-9(10)14(18)19)24-17-12(15(20)21,16(22)23)7-11(25-17)4-8(5-11)6-13/h8-9H,2-5,7H2,1H3
InChIKey STRZJFKEJFDDPP-UHFFFAOYSA-N
Mol Weight 357.28 g/mol
Molecular Formula C12H15N5O8
Exact Mass 357.092062 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6E1RGnGybR
Name 6-(1-METHYL-2-NITROCYCLOBUTOXY)-7,7-DINITRO-2-CYANO-5-OXA-6-AZASPIRO-[3.4]-OCTANE;DIASTEREOMER_C;MINOR_DIASTEREOMER
Compound Number XX-B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H15N5O8
InChI InChI=1S/C12H15N5O8/c1-10(3-2-9(10)14(18)19)24-17-12(15(20)21,16(22)23)7-11(25-17)4-8(5-11)6-13/h8-9H,2-5,7H2,1H3
InChIKey STRZJFKEJFDDPP-UHFFFAOYSA-N
Literature Reference Author E.B.AVERINA,E.M.BUDYNINA,O.A.IVANOVA,Y.K.GRISHIN,S.M.GERDOV, T.S.KUZNETSOVA,N.S.Z
Literature Reference Citation RUSS.J.ORG.CHEM.,40,162(2004)
Literature Reference DOI 10.1023/B:RUJO.0000034936.03355.d1
Molecular Weight 357.280 g/mol
Solvent CDCl3
Source File Reference UWMZ16891