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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 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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 25S1TN5WriM
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
Alternate Name(s) diethyl 10,24-dioxo-11,14,17,20,23-pentaoxa-1,5,6,28-tetraazatricyclo[23.2.1.0(5,9)]octacosa-6,8,25(28),26-tetraene-7,27-dicarboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 c12cc(C(=O)OCC)n[n]2CCC[n]2c(cc(n2)C(OCCOCCOCCOCCOC1=O)=O)C(=O)OCC
SPLASH splash10-0a4i-0090010000-7af88e122c6fc52e259e
Source of Spectrum F-53-11488-4
Wiley ID 803459