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3,15-Diaza-6,9,12-trioxa-bicyclo[15.4.0]heneicos-18,20,1(17)-trien-2,16-dione
SpectraBase Compound ID 1QBI5VbWvQ
InChI InChI=1S/C16H22N2O5/c19-15-13-3-1-2-4-14(13)16(20)18-6-8-22-10-12-23-11-9-21-7-5-17-15/h1-4H,5-12H2,(H,17,19)(H,18,20)
InChIKey ROIAJYSYCSMDIZ-UHFFFAOYSA-N
Mol Weight 322.36 g/mol
Molecular Formula C16H22N2O5
Exact Mass 322.152872 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DNX2tpoBrBt
Name 3,15-Diaza-6,9,12-trioxa-bicyclo[15.4.0]heneicos-18,20,1(17)-trien-2,16-dione
Comments Computed using HOSE algorithm
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Exact Mass 322.152871811 u
Formula C16H22N2O5
InChI InChI=1S/C16H22N2O5/c19-15-13-3-1-2-4-14(13)16(20)18-6-8-22-10-12-23-11-9-21-7-5-17-15/h1-4H,5-12H2,(H,17,19)(H,18,20)
InChIKey ROIAJYSYCSMDIZ-UHFFFAOYSA-N
Molecular Weight 322.361 g/mol
SMILES C1(C2=C(C(NCCOCCOCCOCCN1)=O)C=CC=C2)=O