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(1-ALPHA,2-BETA,3-ALPHA,4-BETA,5-ALPHA,6-BETA)-2,4-DIACETOXY-3,SYN-7-DIAZA-BICYCLO-[3.1.1]-HEPTAN-6-CARBONITRILE
SpectraBase Compound ID 2f3YkE5dCwk
InChI InChI=1S/C12H13N7O4/c1-4(20)22-11-7-6(3-13)8(9(7)16-18-14)12(23-5(2)21)10(11)17-19-15/h6-12H,1-2H3/t6-,7+,8-,9+,10+,11-,12+
InChIKey BHHCOBSCPQHRLT-ZYBXVXSPSA-N
Mol Weight 319.28 g/mol
Molecular Formula C12H13N7O4
Exact Mass 319.102902 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LNRN5JSWl0y
Name (1-ALPHA,2-BETA,3-ALPHA,4-BETA,5-ALPHA,6-BETA)-2,4-DIACETOXY-3,SYN-7-DIAZA-BICYCLO-[3.1.1]-HEPTAN-6-CARBONITRILE
CAS Registry Number 133796-65-3
Compound Number 17B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13N7O4
InChI InChI=1S/C12H13N7O4/c1-4(20)22-11-7-6(3-13)8(9(7)16-18-14)12(23-5(2)21)10(11)17-19-15/h6-12H,1-2H3/t6-,7+,8-,9+,10+,11-,12+
InChIKey BHHCOBSCPQHRLT-ZYBXVXSPSA-N
Literature Reference Author B.TRUPP,H.FRITZ,H.PRINZBACH,H.IRNGARTINGER,U.REIFENSTAHL
Literature Reference Citation CHEM.BER.,124,1777(1991)
Literature Reference DOI 10.1002/cber.19911240815
Molecular Weight 319.280 g/mol
Solvent CDCl3
Source File Reference UWCS11730