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CIRCUMDATIN-C

View entire compound with spectra: 2 NMR

CIRCUMDATIN-C
SpectraBase Compound ID GOcDLUkrHFH
InChI InChI=1S/C17H13N3O3/c1-9-15-19-13-5-3-2-4-11(13)17(23)20(15)14-7-6-10(21)8-12(14)16(22)18-9/h2-9,21H,1H3,(H,18,22)/t9-/m0/s1
InChIKey RZQWOVDHZGSLCQ-VIFPVBQESA-N
Mol Weight 307.31 g/mol
Molecular Formula C17H13N3O3
Exact Mass 307.095691 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HxBsDQ06l3x
Name CIRCUMDATIN-C
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H13N3O3
InChI InChI=1S/C17H13N3O3/c1-9-15-19-13-5-3-2-4-11(13)17(23)20(15)14-7-6-10(21)8-12(14)16(22)18-9/h2-9,21H,1H3,(H,18,22)/t9-/m0/s1
InChIKey RZQWOVDHZGSLCQ-VIFPVBQESA-N
Literature Reference Author L.RAHBAEK,J.BREINHOLT,J.C.FRISVAD,C.CHRISTOPHERSEN
Literature Reference Citation J.ORG.CHEM.,64,1689(1999)
Literature Reference DOI 10.1021/jo981536u
Molecular Weight 307.309 g/mol
Sample ID 39468
Solvent CD3OD