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4,12-dinitropentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-2,4,6,9,11,13,15,17,19-nonaene
SpectraBase Compound ID 1TOzfPt8kCQ
InChI InChI=1S/C20H12N2O4/c23-21(24)11-5-7-15-17(9-11)20-14-4-2-1-3-13(14)19(15)16-8-6-12(22(25)26)10-18(16)20/h1-10,19-20H/t19-,20+
InChIKey QHVDBHFJKHPWSK-BGYRXZFFSA-N
Mol Weight 344.33 g/mol
Molecular Formula C20H12N2O4
Exact Mass 344.079707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4UbKEC3kF1u
Name 4,12-dinitropentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-2,4,6,9,11,13,15,17,19-nonaene
Alternate Name(s) (9s,10s)-2,7-dinitro-9,10-dihydro-9,10-[1,2]benzenoanthracene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H12N2O4
InChI InChI=1S/C20H12N2O4/c23-21(24)11-5-7-15-17(9-11)20-14-4-2-1-3-13(14)19(15)16-8-6-12(22(25)26)10-18(16)20/h1-10,19-20H/t19-,20+
InChIKey QHVDBHFJKHPWSK-BGYRXZFFSA-N
Molecular Weight 344.326 g/mol
SMILES c12ccc([N+]([O-])=O)cc2[C@]2(c3c(ccc(c3)[N+]([O-])=O)[C@@]1(c1c2cccc1)[H])[H]
SPLASH splash10-0ufs-2393000000-2d078da73b7d7dd32c21
Source of Spectrum JX-2015-3-912
Wiley ID 1724441