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13,19-Bis(ethoxycarbonyl)-3,6,9-trioxa-14,18,19,22-tetrazatricyclo[16.2.1.1(11,14)]docosa-1(21),11(22),12,19-tetraen-2,10-dione

View entire compound with spectra: 1 NMR, and 1 MS (GC)

13,19-Bis(ethoxycarbonyl)-3,6,9-trioxa-14,18,19,22-tetrazatricyclo[16.2.1.1(11,14)]docosa-1(21),11(22),12,19-tetraen-2,10-dione
SpectraBase Compound ID HpPAaNcRAvl
InChI InChI=1S/C21H26N4O9/c1-30-20(28)16-12-14-18(26)33-10-4-8-32-9-5-11-34-19(27)15-13-17(21(29)31-2)25(23-15)7-3-6-24(16)22-14/h12-13H,3-11H2,1-2H3
InChIKey DVKLCEFGTQZMCL-UHFFFAOYSA-N
Mol Weight 478.46 g/mol
Molecular Formula C21H26N4O9
Exact Mass 478.169978 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Ge6kaqXGYa
Name 13,19-bis(Ethoxycarbonyl)-3,6,9-trioxa-14,18,19,22-tetrazatricyclo[16.2.1.1(11,14)]docosa-1(21),11(22),12,19-tetraen-2,10-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 478.169978424 u
Formula C21H26N4O9
InChI InChI=1S/C21H26N4O9/c1-30-20(28)16-12-14-18(26)33-10-4-8-32-9-5-11-34-19(27)15-13-17(21(29)31-2)25(23-15)7-3-6-24(16)22-14/h12-13H,3-11H2,1-2H3
InChIKey DVKLCEFGTQZMCL-UHFFFAOYSA-N
Molecular Weight 478.458 g/mol
SMILES C1(=CC=2C(OCCCOCCCOC(C3=NN(C(=C3)C(=O)OC)CCCN1N2)=O)=O)C(=O)OC