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3-METHYL-1,5-DINITRO-1,2,3,4,5,6-HEXAHYDRO-1,5-METHANO-3-BENZOAZOCINE
SpectraBase Compound ID HOJIBILlhG2
InChI InChI=1S/C13H15N3O4/c1-14-8-12(15(17)18)6-10-4-2-3-5-11(10)13(7-12,9-14)16(19)20/h2-5H,6-9H2,1H3
InChIKey OTKCZBSQXUSGBP-UHFFFAOYSA-N
Mol Weight 277.28 g/mol
Molecular Formula C13H15N3O4
Exact Mass 277.106256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L3G9p8MEKOx
Name 3-Methyl-1,5-nitro-1,2,3,4,5,6-hexahydro-1,5-methano-3-benzoazocine
Alternate Name(s) 11-Methyl-1,9-dinitro-11-azatricyclo[7.3.1.0(2,7)]trideca-2,4,6-triene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15N3O4
InChI InChI=1S/C13H15N3O4/c1-14-8-12(15(17)18)6-10-4-2-3-5-11(10)13(7-12,9-14)16(19)20/h2-5H,6-9H2,1H3
InChIKey OTKCZBSQXUSGBP-UHFFFAOYSA-N
Molecular Weight 277.280 g/mol
SMILES C12(N(=O)=O)CC(N(=O)=O)(CN(C2)C)Cc2c1cccc2
SPLASH splash10-00lr-0980000000-5eec5b521075eabb800e
Source of Spectrum KC-0-2769-5
Wiley ID 784581