3-Nitro-4-(1,3,3-trimethyl-6-aza-bicyclo[3.2.1]oct-6-yl)-benzoic acid

SpectraBase Compound ID	22tujFEmfIF
InChI	InChI=1S/C17H22N2O4/c1-16(2)7-12-8-17(3,9-16)10-18(12)13-5-4-11(15(20)21)6-14(13)19(22)23/h4-6,12H,7-10H2,1-3H3,(H,20,21)/t12-,17-/m1/s1
InChIKey	KYQBVAJBHJTDDX-SJKOYZFVSA-N Google Search
Mol Weight	318.37 g/mol
Molecular Formula	C17H22N2O4
Exact Mass	318.157957 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	KHTxmAd6vnn
Name	3-Nitro-4-(1,3,3-trimethyl-6-aza-bicyclo[3.2.1]oct-6-yl)-benzoic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H22N2O4
InChI	InChI=1S/C17H22N2O4/c1-16(2)7-12-8-17(3,9-16)10-18(12)13-5-4-11(15(20)21)6-14(13)19(22)23/h4-6,12H,7-10H2,1-3H3,(H,20,21)/t12-,17-/m1/s1
InChIKey	KYQBVAJBHJTDDX-SJKOYZFVSA-N
Molecular Weight	318.373 g/mol
SMILES	OC(c1cc(N(=O)=O)c(N2[C@]3(C[C@@](C2)(CC(C3)(C)C)C)[H])cc1)=O
SPLASH	splash10-05tf-9510000000-b066cc7937568e516df2
Synonyms	3-Nitro-4-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)benzoic acid
Wiley ID	1458867