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Bicyclo[2.2.1]heptane-2-methanol, 6,6-ethylenedioxy-, p-toluenesulfonate
SpectraBase Compound ID 4M2QfFESyqj
InChI InChI=1S/C17H22O5S/c1-12-2-4-15(5-3-12)23(18,19)22-11-14-8-13-9-16(14)17(10-13)20-6-7-21-17/h2-5,13-14,16H,6-11H2,1H3/t13-,14-,16-/m1/s1
InChIKey XYQUKCCLEMGTNK-IIAWOOMASA-N
Mol Weight 338.42 g/mol
Molecular Formula C17H22O5S
Exact Mass 338.118795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ISZR8SDfSPc
Name
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Formula C17H22O5S
InChI InChI=1S/C17H22O5S/c1-12-2-4-15(5-3-12)23(18,19)22-11-14-8-13-9-16(14)17(10-13)20-6-7-21-17/h2-5,13-14,16H,6-11H2,1H3/t13-,14-,16-/m1/s1
InChIKey XYQUKCCLEMGTNK-IIAWOOMASA-N
Molecular Weight 338.1182
SMILES C12(OCCO2)[C@@]2(C[C@@](C[C@@]2(COS(=O)(=O)c2ccc(C)cc2)[H])(C1)[H])[H]
SPLASH splash10-000w-9701000000-2658dc439e681414a818
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany