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GCYACDKZQOMYSC-SQQVDAMQSA-N

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GCYACDKZQOMYSC-SQQVDAMQSA-N
SpectraBase Compound ID 9VHVDGtNLAP
InChI InChI=1S/C15H16Br2N4O2.C2HF3O2/c1-23-14-11(16)6-9(7-12(14)17)2-3-13(22)19-5-4-10-8-20-15(18)21-10;3-2(4,5)1(6)7/h2-3,6-8H,4-5H2,1H3,(H,19,22)(H3,18,20,21);(H,6,7)/b3-2+;
InChIKey GCYACDKZQOMYSC-SQQVDAMQSA-N
Mol Weight 558.15 g/mol
Molecular Formula C17H17Br2F3N4O4
Exact Mass 555.956866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LZoZlZjyJr2
Name GCYACDKZQOMYSC-SQQVDAMQSA-N
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H17Br2F3N4O4
InChI InChI=1S/C15H16Br2N4O2.C2HF3O2/c1-23-14-11(16)6-9(7-12(14)17)2-3-13(22)19-5-4-10-8-20-15(18)21-10;3-2(4,5)1(6)7/h2-3,6-8H,4-5H2,1H3,(H,19,22)(H3,18,20,21);(H,6,7)/b3-2+;
InChIKey GCYACDKZQOMYSC-SQQVDAMQSA-N
Literature Reference Author P.CIMINIELLO,E.FATTORUSSO,S.MAGNO,M.PANSINI
Literature Reference Citation J.NAT.PROD.,57,1564(1994)
Literature Reference DOI 10.1021/np50113a016
Molecular Weight 558.150 g/mol
Solvent CD3OD
Source File Reference UWVP3267