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Inherent Properties, Identifiers and References
ChemSpider ID: 5557
Empirical Formula: C17H21NO4
Molecular Weight: 303.3529
Nominal Mass: 303 Da
Average Mass: 303.3529 Da
Monoisotopic Mass: 303.147058 Da
Systematic Name: methyl (2R,3S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-​2-carboxylate
SMILES: O=C(O[C@H]1CC2N(C)C([C@H]1C(=O)OC)CC2)c3ccccc3 Copy
InChI: InChI=1/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16​(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12?,13?,14-,15+/m0/​s1 Copy
InChIKey: ZPUCINDJVBIVPJ-PFSRBDOWBP
Std. InChI: InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-1​6(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12?,13?,14-,15+/m0​/s1 Copy
Std. InChIKey: ZPUCINDJVBIVPJ-PFSRBDOWSA-N
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