John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=I5EsFcHjbn5 SpectraBase Spectrum ID=1jHA1fV4wx9

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OCTOSYL-ACID-A
SpectraBase Compound ID I5EsFcHjbn5
InChI InChI=1S/C13H14N2O10/c16-4-1-5(12(21)22)24-8-6(17)10(25-7(4)8)15-2-3(11(19)20)9(18)14-13(15)23/h2,4-8,10,16-17H,1H2,(H,19,20)(H,21,22)(H,14,18,23)/t4-,5+,6-,7-,8+,10-/m0/s1
InChIKey VKBROKVQWXRRIF-XTBOPFDJSA-N
Mol Weight 358.26 g/mol
Molecular Formula C13H14N2O10
Exact Mass 358.064845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1jHA1fV4wx9
Name OCTOSYL-ACID-A
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14N2O10
InChI InChI=1S/C13H14N2O10/c16-4-1-5(12(21)22)24-8-6(17)10(25-7(4)8)15-2-3(11(19)20)9(18)14-13(15)23/h2,4-8,10,16-17H,1H2,(H,19,20)(H,21,22)(H,14,18,23)/t4-,5+,6-,7-,8+,10-/m0/s1
InChIKey VKBROKVQWXRRIF-XTBOPFDJSA-N
Literature Reference Author T.C.SCHUEZ,H.P.FIEDLER,H.ZAEHNER,M.RIECK,W.A.KOENIG
Literature Reference Citation J.ANTIBIOTICS,45,199(1992)
Literature Reference DOI 10.7164/antibiotics.45.199
Molecular Weight 358.262 g/mol
Sample ID 45822
Solvent DMSO-D6
SpectraBase Batch ID 224Y8gpNf6w