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2,3,13,14-Tetranitro-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine
SpectraBase Compound ID YLpxY5VXq9
InChI InChI=1S/C20H20N4O14/c25-21(26)13-9-17-18(10-14(13)22(27)28)37-7-3-34-4-8-38-20-12-16(24(31)32)15(23(29)30)11-19(20)36-6-2-33-1-5-35-17/h9-12H,1-8H2
InChIKey WTOLDNXPOLMLPN-UHFFFAOYSA-N
Mol Weight 540.39 g/mol
Molecular Formula C20H20N4O14
Exact Mass 540.097601 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 655ImHdQQHq
Name 2,3,13,14-Tetranitro-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine
CAS Registry Number 61853-51-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N4O14
InChI InChI=1S/C20H20N4O14/c25-21(26)13-9-17-18(10-14(13)22(27)28)37-7-3-34-4-8-38-20-12-16(24(31)32)15(23(29)30)11-19(20)36-6-2-33-1-5-35-17/h9-12H,1-8H2
InChIKey WTOLDNXPOLMLPN-UHFFFAOYSA-N
Molecular Weight 540.394 g/mol
SMILES c1c(c(cc2c1OCCOCCOc1cc(c(cc1OCCOCCO2)N(=O)=O)N(=O)=O)N(=O)=O)N(=O)=O
SPLASH splash10-00mo-9220000000-cc96a945ea197618f498
Source of Spectrum O-12-409-4
Synonyms 20,21,24,25-Tetranitro-dibenzo-18-crown-6
Wiley ID 1404526