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2-(2,4-Dichloro-phenyl)-6,6-dimethyl-5,7-dinitro-1,3-diaza-tricyclo[3.3.1.1(3,7)]decane

View entire compound with spectra: 1 MS (GC)

2-(2,4-Dichloro-phenyl)-6,6-dimethyl-5,7-dinitro-1,3-diaza-tricyclo[3.3.1.1(3,7)]decane
SpectraBase Compound ID BRAQGMSch0B
InChI InChI=1S/C16H18Cl2N4O4/c1-14(2)15(21(23)24)6-19-8-16(14,22(25)26)9-20(7-15)13(19)11-4-3-10(17)5-12(11)18/h3-5,13H,6-9H2,1-2H3/t13-,15-,16+
InChIKey KHDSXIJLOOFKLH-MKZZRHPPSA-N
Mol Weight 401.25 g/mol
Molecular Formula C16H18Cl2N4O4
Exact Mass 400.07051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GmIWUJhseVS
Name 2-(2,4-Dichloro-phenyl)-6,6-dimethyl-5,7-dinitro-1,3-diaza-tricyclo[3.3.1.1(3,7)]decane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18Cl2N4O4
InChI InChI=1S/C16H18Cl2N4O4/c1-14(2)15(21(23)24)6-19-8-16(14,22(25)26)9-20(7-15)13(19)11-4-3-10(17)5-12(11)18/h3-5,13H,6-9H2,1-2H3/t13-,15-,16+
InChIKey KHDSXIJLOOFKLH-MKZZRHPPSA-N
Molecular Weight 401.250 g/mol
SMILES [C@]12(C([C@]3(N(=O)=O)CN(C2)C(N(C1)C3)c1c(cc(cc1)Cl)Cl)(C)C)N(=O)=O
SPLASH splash10-0006-9721000000-fa709d2395bf9369f008
Wiley ID 1445383