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(2,2-dimethyl-3-azabicyclo[2.2.2]octan-3-yl) 3,5-dinitrobenzoate

View entire compound with spectra: 1 MS (GC)

(2,2-dimethyl-3-azabicyclo[2.2.2]octan-3-yl) 3,5-dinitrobenzoate
SpectraBase Compound ID F1OlT0NPpRz
InChI InChI=1S/C16H19N3O6/c1-16(2)11-3-5-12(6-4-11)17(16)25-15(20)10-7-13(18(21)22)9-14(8-10)19(23)24/h7-9,11-12H,3-6H2,1-2H3
InChIKey CIUJPQATYMOLBS-UHFFFAOYSA-N
Mol Weight 349.34 g/mol
Molecular Formula C16H19N3O6
Exact Mass 349.127385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EWO4LMnsci5
Name (2,2-dimethyl-3-azabicyclo[2.2.2]octan-3-yl) 3,5-dinitrobenzoate
Alternate Name(s) 3,5-Dinitrobenzoic acid (2,2-dimethyl-3-azabicyclo[2.2.2]octan-3-yl) ester
CAS Registry Number 109638-29-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19N3O6
InChI InChI=1S/C16H19N3O6/c1-16(2)11-3-5-12(6-4-11)17(16)25-15(20)10-7-13(18(21)22)9-14(8-10)19(23)24/h7-9,11-12H,3-6H2,1-2H3
InChIKey CIUJPQATYMOLBS-UHFFFAOYSA-N
Molecular Weight 349.343 g/mol
SMILES C1(N(C2CCC1CC2)OC(c1cc(N(=O)=O)cc(N(=O)=O)c1)=O)(C)C
SPLASH splash10-001i-6907000000-b1bdf1d165486fa13713
Source of Spectrum K-120-1776-12
Wiley ID 1341283