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DIACETYL-AEROTHIONIN

View entire compound with spectra: 2 NMR

DIACETYL-AEROTHIONIN
SpectraBase Compound ID 9gAToyEupxz
InChI InChI=1S/C28H30Br4N4O10/c1-13(37)43-23-19(31)21(41-3)15(29)9-27(23)11-17(35-45-27)25(39)33-7-5-6-8-34-26(40)18-12-28(46-36-18)10-16(30)22(42-4)20(32)24(28)44-14(2)38/h9-10,23-24H,5-8,11-12H2,1-4H3,(H,33,39)(H,34,40)
InChIKey NPLDITJHGVDFOV-UHFFFAOYSA-N
Mol Weight 902.18 g/mol
Molecular Formula C28H30Br4N4O10
Exact Mass 897.869545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5wdK6wn7Gyu
Name Aerothionin diacetate
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Formula C28H30Br4N4O10
InChI InChI=1S/C28H30Br4N4O10/c1-13(37)43-23-19(31)21(41-3)15(29)9-27(23)11-17(35-45-27)25(39)33-7-5-6-8-34-26(40)18-12-28(46-36-18)10-16(30)22(42-4)20(32)24(28)44-14(2)38/h9-10,23-24H,5-8,11-12H2,1-4H3,(H,33,39)(H,34,40)
InChIKey NPLDITJHGVDFOV-UHFFFAOYSA-N
Literature Reference D.M. Roll, C.W. Chang, P.J. Scheuer, J. Am. Chem. Soc. 107, 2916 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3