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PSAMMOPEMMIN-A-TETRAACETATE
SpectraBase Compound ID K2ndlQNhMkv
InChI InChI=1S/C20H17BrN4O5/c1-10(26)24-9-15(18-16(24)6-5-7-17(18)30-13(4)29)14-8-22-20(21)23-19(14)25(11(2)27)12(3)28/h5-9H,1-4H3/p+1
InChIKey LJNYLDOEMZFTRH-UHFFFAOYSA-O
Mol Weight 474.29 g/mol
Molecular Formula C20H18BrN4O5
Exact Mass 473.046058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HK0HfqLShQi
Name PSAMMOPEMMIN-A-TETRAACETATE
Compound Number 10
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18BrN4O5
InChI InChI=1S/C20H17BrN4O5/c1-10(26)24-9-15(18-16(24)6-5-7-17(18)30-13(4)29)14-8-22-20(21)23-19(14)25(11(2)27)12(3)28/h5-9H,1-4H3/p+1
InChIKey LJNYLDOEMZFTRH-UHFFFAOYSA-O
Literature Reference Author M.S.BUTLER,R.J.CAPON,C.C.LU
Literature Reference Citation AUSTR.J.CHEM.,45,1871(1992)
Molecular Weight 474.291 g/mol
Solvent CDCl3
Source File Reference UWTS2525