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4-Nitropentacyclo[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 8E9dS1GjCOi
InChI InChI=1S/C20H13NO2/c22-21(23)12-9-10-17-18(11-12)20-15-7-3-1-5-13(15)19(17)14-6-2-4-8-16(14)20/h1-11,19-20H/t19-,20+
InChIKey LMWPOPDXLNHLPY-BGYRXZFFSA-N
Mol Weight 299.33 g/mol
Molecular Formula C20H13NO2
Exact Mass 299.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8jCbcp3MJiP
Name 4-Nitropentacyclo[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) 2-Nitro-9,10-dihydro-9,10-[1,2]benzenoanthracene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H13NO2
InChI InChI=1S/C20H13NO2/c22-21(23)12-9-10-17-18(11-12)20-15-7-3-1-5-13(15)19(17)14-6-2-4-8-16(14)20/h1-11,19-20H/t19-,20+
InChIKey LMWPOPDXLNHLPY-BGYRXZFFSA-N
Molecular Weight 299.329 g/mol
SMILES [C@]12(c3c([C@](c4c2cc(cc4)[N+]([O-])=O)(c2c1cccc2)[H])cccc3)[H]
SPLASH splash10-0udi-1390000000-53d6c8a819edd32a52c5
Source of Spectrum JX-2015-2-1592
Wiley ID 1723224