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

View entire compound with spectra: 1 MS (GC)

(2,2-dimethyl-3-azabicyclo[2.2.2]oct-5-en-3-yl) 3,5-dinitrobenzoate
SpectraBase Compound ID 8ipQ4R3jbsI
InChI InChI=1S/C16H17N3O6/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/h3,5,7-9,11-12H,4,6H2,1-2H3
InChIKey ACTJARRORAQYHF-UHFFFAOYSA-N
Mol Weight 347.33 g/mol
Molecular Formula C16H17N3O6
Exact Mass 347.111735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IDowWazRIou
Name (2,2-dimethyl-3-azabicyclo[2.2.2]oct-5-en-3-yl) 3,5-dinitrobenzoate
Alternate Name(s) 3,5-Dinitrobenzoic acid (2,2-dimethyl-3-azabicyclo[2.2.2]oct-5-en-3-yl) ester
CAS Registry Number 105731-53-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17N3O6
InChI InChI=1S/C16H17N3O6/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/h3,5,7-9,11-12H,4,6H2,1-2H3
InChIKey ACTJARRORAQYHF-UHFFFAOYSA-N
Molecular Weight 347.327 g/mol
SMILES C1(N(C2C=CC1CC2)OC(c1cc(N(=O)=O)cc(N(=O)=O)c1)=O)(C)C
SPLASH splash10-0a6v-9300000000-697d5615cfa61e1ef183
Source of Spectrum K-120-1775-7
Wiley ID 1339922