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exo-(S1,S2,S4,Rs)-Benzyl 2-(p-tolylsulfinyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
SpectraBase Compound ID fqppINe3oO
InChI InChI=1S/C22H22O3S/c1-16-7-11-20(12-8-16)26(24)22(14-18-9-10-19(22)13-18)21(23)25-15-17-5-3-2-4-6-17/h2-12,18-19H,13-15H2,1H3/t18-,19-,22-,26?/m0/s1
InChIKey FAYDKNJEMPSUKA-VGYAKCNGSA-N
Mol Weight 366.48 g/mol
Molecular Formula C22H22O3S
Exact Mass 366.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FpGGgNyF179
Name exo-(S1,S2,S4,Rs)-Benzyl 2-(p-tolylsulfinyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
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Formula C22H22O3S
InChI InChI=1S/C22H22O3S/c1-16-7-11-20(12-8-16)26(24)22(14-18-9-10-19(22)13-18)21(23)25-15-17-5-3-2-4-6-17/h2-12,18-19H,13-15H2,1H3/t18-,19-,22-,26?/m0/s1
InChIKey FAYDKNJEMPSUKA-VGYAKCNGSA-N
Molecular Weight 366.475 g/mol
SMILES [C@]1([S@](c2ccc(cc2)C)=O)([C@]2(C=C[C@](C1)(C2)[H])[H])C(OCc1ccccc1)=O
SPLASH splash10-0006-9000000000-73b88f4a71cedbb0faf1
Source of Spectrum QC-8-2223-6
Synonyms benzyl (1S,2S,4S)-2-[(4-methylphenyl)sulfinyl]bicyclo[2.2.1]hept-5-ene-2-carboxylate
Wiley ID 870069