(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 Google Search
Mol Weight	347.33 g/mol
Molecular Formula	C16H17N3O6
Exact Mass	347.111735 g/mol

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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
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
Synonyms	3,5-Dinitrobenzoic acid (2,2-dimethyl-3-azabicyclo[2.2.2]oct-5-en-3-yl) ester
Wiley ID	1339922