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BTROBKGQRXMXLL-IBSUQTTCSA-N
SpectraBase Compound ID LDyb0BPggRk
InChI InChI=1S/C27H28N6O8/c1-27(2,3)15-10-8-14(9-11-15)23(37)30-26-29-22-19(24(31-26)40-17-7-5-4-6-16(17)33(38)39)28-13-32(22)25-21(36)20(35)18(12-34)41-25/h4-11,13,18,20-21,25,34-36H,12H2,1-3H3,(H,29,30,31,37)/t18-,20-,21-,25-/m0/s1
InChIKey BTROBKGQRXMXLL-IBSUQTTCSA-N
Mol Weight 564.56 g/mol
Molecular Formula C27H28N6O8
Exact Mass 564.196862 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LLPr3Dunrry
Name BTROBKGQRXMXLL-IBSUQTTCSA-N
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H28N6O8
InChI InChI=1S/C27H28N6O8/c1-27(2,3)15-10-8-14(9-11-15)23(37)30-26-29-22-19(24(31-26)40-17-7-5-4-6-16(17)33(38)39)28-13-32(22)25-21(36)20(35)18(12-34)41-25/h4-11,13,18,20-21,25,34-36H,12H2,1-3H3,(H,29,30,31,37)/t18-,20-,21-,25-/m0/s1
InChIKey BTROBKGQRXMXLL-IBSUQTTCSA-N
Literature Reference Author G.REMAUD,X.X.ZHOU,C.J.WELCH,J.CHATTOPADHYAYA
Literature Reference Citation TETRAHEDRON,42,4057(1986)
Literature Reference DOI 10.1016/S0040-4020(01)87562-1
Solvent DMSO;TFA=1EQ
Source File Reference UWRH512