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Toluene-4-sulfonic acid, 7-oxabicyclo[2.2.1]hept-2-ylmethyl ester
SpectraBase Compound ID 2HeF5QYaDt0
InChI InChI=1S/C14H18O4S/c1-10-2-5-13(6-3-10)19(15,16)17-9-11-8-12-4-7-14(11)18-12/h2-3,5-6,11-12,14H,4,7-9H2,1H3/t11-,12+,14-/m0/s1
InChIKey PNWQDGADYLNCMH-SCRDCRAPSA-N
Mol Weight 282.35 g/mol
Molecular Formula C14H18O4S
Exact Mass 282.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 50xuGuNFqgb
Name Toluene-4-sulfonic acid, 7-oxabicyclo[2.2.1]hept-2-ylmethyl ester
Alternate Name(s) 4-Methylbenzenesulfonic acid 7-oxabicyclo[2.2.1]heptan-3-ylmethyl ester 7-Oxabicyclo[2.2.1]hept-2-ylmethyl 4-methylbenzenesulfonate 7-Oxabicyclo[2.2.1]heptan-3-ylmethyl 4-methylbenzenesulfonate
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Formula C14H18O4S
InChI InChI=1S/C14H18O4S/c1-10-2-5-13(6-3-10)19(15,16)17-9-11-8-12-4-7-14(11)18-12/h2-3,5-6,11-12,14H,4,7-9H2,1H3/t11-,12+,14-/m0/s1
InChIKey PNWQDGADYLNCMH-SCRDCRAPSA-N
Molecular Weight 282.354 g/mol
SMILES c1c(ccc(S(OC[C@]2([C@@]3(CC[C@@](O3)(C2)[H])[H])[H])(=O)=O)c1)C
SPLASH splash10-014l-9100000000-a198b40ed387dbdb1788
Wiley ID 1474401