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Benzenesulfonic acid, 4-methyl-, bicyclo[3.2.1]oct-6-yl ester
SpectraBase Compound ID Jn6PNwOn8I1
InChI InChI=1S/C15H20O3S/c1-11-5-7-14(8-6-11)19(16,17)18-15-10-12-3-2-4-13(15)9-12/h5-8,12-13,15H,2-4,9-10H2,1H3/t12-,13+,15+/m1/s1
InChIKey MCBVFWKOSBKWCJ-IPYPFGDCSA-N
Mol Weight 280.38 g/mol
Molecular Formula C15H20O3S
Exact Mass 280.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GlTbNqE5nzw
Name Benzenesulfonic acid, 4-methyl-, bicyclo[3.2.1]oct-6-yl ester
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Formula C15H20O3S
InChI InChI=1S/C15H20O3S/c1-11-5-7-14(8-6-11)19(16,17)18-15-10-12-3-2-4-13(15)9-12/h5-8,12-13,15H,2-4,9-10H2,1H3/t12-,13+,15+/m1/s1
InChIKey MCBVFWKOSBKWCJ-IPYPFGDCSA-N
Molecular Weight 280.382 g/mol
SMILES Cc1ccc(S(O[C@@]2([C@@]3(C[C@](C2)(CCC3)[H])[H])[H])(=O)=O)cc1
SPLASH splash10-0aru-9200000000-979190e69662b8d05549
Source of Spectrum AD-0-2532-0
Synonyms Bicyclo[3.2.1]oct-6-yl 4-methylbenzenesulfonate [(6S)-6-bicyclo[3.2.1]octanyl] 4-methylbenzenesulfonate
Wiley ID 1431235