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3-(4-Tolylsulfonyloxymethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
SpectraBase Compound ID ElkxpKPHq04
InChI InChI=1S/C19H27NO5S/c1-13-5-9-16(10-6-13)26(22,23)24-12-17-14-7-8-15(11-14)20(17)18(21)25-19(2,3)4/h5-6,9-10,14-15,17H,7-8,11-12H2,1-4H3/t14-,15+,17-/m1/s1
InChIKey IZMXZCRJRQDMBQ-HLLBOEOZSA-N
Mol Weight 381.49 g/mol
Molecular Formula C19H27NO5S
Exact Mass 381.160994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DPwTYXUZfT5
Name 3-(4-Tolylsulfonyloxymethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
Alternate Name(s) (1S,3R,4R)-3-(4-Tolylsulfonyloxymethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester tert-Butyl 3-({[(4-methylphenyl)sulfonyl]oxy}methyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
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Formula C19H27NO5S
InChI InChI=1S/C19H27NO5S/c1-13-5-9-16(10-6-13)26(22,23)24-12-17-14-7-8-15(11-14)20(17)18(21)25-19(2,3)4/h5-6,9-10,14-15,17H,7-8,11-12H2,1-4H3/t14-,15+,17-/m1/s1
InChIKey IZMXZCRJRQDMBQ-HLLBOEOZSA-N
Molecular Weight 381.487 g/mol
SMILES C(N1[C@@]2(C[C@]([C@]1(COS(c1ccc(cc1)C)(=O)=O)[H])(CC2)[H])[H])(OC(C)(C)C)=O
SPLASH splash10-014i-9300000000-48bc0326591e54c02b59
Source of Spectrum KC-1-361-3
Wiley ID 1577597