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19,26-Bis(ethoxycarbonyl)-3,6,9,12,15-pentaoxa-20,24,25,28-tetrazatricyclo[22.3.0.1(17,20)]octacosa-1(27),17(28),18,25-tetraen-2,16-dione

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

19,26-Bis(ethoxycarbonyl)-3,6,9,12,15-pentaoxa-20,24,25,28-tetrazatricyclo[22.3.0.1(17,20)]octacosa-1(27),17(28),18,25-tetraen-2,16-dione
SpectraBase Compound ID 1iElFM1rbU9
InChI InChI=1S/C25H34N4O11/c1-3-37-22(30)18-16-21-25(33)40-15-13-36-11-9-34-8-10-35-12-14-39-23(31)19-17-20(24(32)38-4-2)28(27-19)6-5-7-29(21)26-18/h16-17H,3-15H2,1-2H3
InChIKey DMJRKZZLKUERPI-UHFFFAOYSA-N
Mol Weight 566.6 g/mol
Molecular Formula C25H34N4O11
Exact Mass 566.222408 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DBGT2x8wGKC
Name 19,26-bis(Ethoxycarbonyl)-3,6,9,12,15-pentaoxa-20,24,25,28-tetrazatricyclo[22.3.0.1(17,20)]octacosa-1(27),17(28),18,25-tetraen-2,16-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 566.222407920 u
Formula C25H34N4O11
InChI InChI=1S/C25H34N4O11/c1-3-37-22(30)18-16-21-25(33)40-15-13-36-11-9-34-8-10-35-12-14-39-23(31)19-17-20(24(32)38-4-2)28(27-19)6-5-7-29(21)26-18/h16-17H,3-15H2,1-2H3
InChIKey DMJRKZZLKUERPI-UHFFFAOYSA-N
Molecular Weight 566.564 g/mol
SMILES C12=CC(C(=O)OCC)=NN2CCCN2C(=CC(=N2)C(OCCOCCOCCOCCOC1=O)=O)C(=O)OCC