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3-(1,3,3-Trimethyl-6-aza-bicyclo[3.2.1]octane-6-sulfonyl)-benzoic acid methyl ester
SpectraBase Compound ID 99Tjl1wvBsW
InChI InChI=1S/C18H25NO4S/c1-17(2)9-14-10-18(3,11-17)12-19(14)24(21,22)15-7-5-6-13(8-15)16(20)23-4/h5-8,14H,9-12H2,1-4H3/t14-,18-/m1/s1
InChIKey SZTRMKDLPQXMSX-RDTXWAMCSA-N
Mol Weight 351.46 g/mol
Molecular Formula C18H25NO4S
Exact Mass 351.150429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KZN4ZQ7OVio
Name 3-(1,3,3-Trimethyl-6-aza-bicyclo[3.2.1]octane-6-sulfonyl)-benzoic acid methyl ester
Alternate Name(s) 3-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]benzoic acid methyl ester Methyl 3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]benzoate Methyl 3-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]benzoate
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Formula C18H25NO4S
InChI InChI=1S/C18H25NO4S/c1-17(2)9-14-10-18(3,11-17)12-19(14)24(21,22)15-7-5-6-13(8-15)16(20)23-4/h5-8,14H,9-12H2,1-4H3/t14-,18-/m1/s1
InChIKey SZTRMKDLPQXMSX-RDTXWAMCSA-N
Molecular Weight 351.461 g/mol
SMILES COC(c1cc(S(N2[C@]3(C[C@@](C2)(CC(C3)(C)C)C)[H])(=O)=O)ccc1)=O
SPLASH splash10-001i-7590000000-0f5a675231f570ecb45f
Wiley ID 1463598