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19,25-Bis(ethoxycarbonyl)-3,6,9,12,15-pentaoxa-20,24,27,28-tetrazatricyclo[22.2.1.1(17,20)]octacosa-1(27),17(28),18,25-tetraen-2,16-dione

View entire compound with spectra: 1 MS (GC)

19,25-Bis(ethoxycarbonyl)-3,6,9,12,15-pentaoxa-20,24,27,28-tetrazatricyclo[22.2.1.1(17,20)]octacosa-1(27),17(28),18,25-tetraen-2,16-dione
SpectraBase Compound ID Km4xaPF7vSY
InChI InChI=1S/C25H34N4O11/c1-3-37-24(32)20-16-18-22(30)39-14-12-35-10-8-34-9-11-36-13-15-40-23(31)19-17-21(25(33)38-4-2)29(27-19)7-5-6-28(20)26-18/h16-17H,3-15H2,1-2H3
InChIKey CRZILUQPHDCBDQ-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 6N0CkvHdVKg
Name 19,25-Bis(ethoxycarbonyl)-3,6,9,12,15-pentaoxa-20,24,27,28-tetrazatricyclo[22.2.1.1(17,20)]octacosa-1(27),17(28),18,25-tetraen-2,16-dione
Alternate Name(s) diethyl 9,23-dioxo-10,13,16,19,22-pentaoxa-1,5,27,28-tetraazatricyclo[22.2.1.1(5,8)]octacosa-6,8(28),24(27),25-tetraene-6,26-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/c1-3-37-24(32)20-16-18-22(30)39-14-12-35-10-8-34-9-11-36-13-15-40-23(31)19-17-21(25(33)38-4-2)29(27-19)7-5-6-28(20)26-18/h16-17H,3-15H2,1-2H3
InChIKey CRZILUQPHDCBDQ-UHFFFAOYSA-N
Molecular Weight 566.564 g/mol
SMILES c1(cc2C(OCCOCCOCCOCCOC(c3n[n](c(c3)C(=O)OCC)CCC[n]1n2)=O)=O)C(=O)OCC
SPLASH splash10-00di-0900030000-ec5cc1f7b3961e784fdd
Source of Spectrum F-53-11488-3
Wiley ID 803458