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Dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin, 6,7,9,10,17,18,20,21-octahydro-2,13-dinitro-
SpectraBase Compound ID DaQXt8cKc4g
InChI InChI=1S/C20H22N2O10/c23-21(24)15-1-3-17-19(13-15)31-11-7-28-6-10-30-18-4-2-16(22(25)26)14-20(18)32-12-8-27-5-9-29-17/h1-4,13-14H,5-12H2
InChIKey JLRXOTNWTNNRCW-UHFFFAOYSA-N
Mol Weight 450.4 g/mol
Molecular Formula C20H22N2O10
Exact Mass 450.127445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 85UJJN5vKNq
Name Dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin, 6,7,9,10,17,18,20,21-octahydro-2,13-dinitro-
Alternate Name(s) 2,13-Dinitro-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine 20,24-Dinitro-dibenzo-18-crown-6 3,3'-Dinitrobenzo-18-crown-6 4',5''-Dinitrodibenzo[b,k]-1,4,7,10,13,16-hexaoxacyclooctadeca-2,11-diene
CAS Registry Number 32082-45-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N2O10
InChI InChI=1S/C20H22N2O10/c23-21(24)15-1-3-17-19(13-15)31-11-7-28-6-10-30-18-4-2-16(22(25)26)14-20(18)32-12-8-27-5-9-29-17/h1-4,13-14H,5-12H2
InChIKey JLRXOTNWTNNRCW-UHFFFAOYSA-N
Molecular Weight 450.400 g/mol
SMILES c1cc2c(cc1N(=O)=O)OCCOCCOc1ccc(cc1OCCOCCO2)N(=O)=O
SPLASH splash10-001l-9700100000-787d7fc52350a2e364fe
Source of Spectrum O-12-408-2
Wiley ID 1387593