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(3R*,5S*,6S*)-5-HYDROXY-1,7-DIOXA-SPIRO-[5.5]-UNDEC-3-YL-3,5-DINITROBENZOATE
SpectraBase Compound ID 76ObaQC2I7u
InChI InChI=1S/C16H18N2O9/c19-14-8-13(9-26-16(14)3-1-2-4-25-16)27-15(20)10-5-11(17(21)22)7-12(6-10)18(23)24/h5-7,13-14,19H,1-4,8-9H2/t13-,14+,16-/m1/s1
InChIKey SQGKIUDBKMUUIG-IJEWVQPXSA-N
Mol Weight 382.33 g/mol
Molecular Formula C16H18N2O9
Exact Mass 382.10123 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2eyXE9bUXQ8
Name (3R*,5S*,6S*)-5-HYDROXY-1,7-DIOXA-SPIRO-[5.5]-UNDEC-3-YL-3,5-DINITROBENZOATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18N2O9
InChI InChI=1S/C16H18N2O9/c19-14-8-13(9-26-16(14)3-1-2-4-25-16)27-15(20)10-5-11(17(21)22)7-12(6-10)18(23)24/h5-7,13-14,19H,1-4,8-9H2/t13-,14+,16-/m1/s1
InChIKey SQGKIUDBKMUUIG-IJEWVQPXSA-N
Literature Reference Author M.A.BRIMBLE,A.D.JOHNSTON
Literature Reference Citation MOLECULES,2,M17(1997)
Literature Reference DOI 10.3390/jan97p5
Molecular Weight 382.327 g/mol
Solvent CDCl3
Source File Reference UWVN7051