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(E,1S,6R,8R,10R,Rs)-13,13-Dimethyl-4-(formylmethylidene)-6-phenyl-7-oxa-3-thiatricyclo[8.2.1.0(1,8)]tridecane 3-oxide
SpectraBase Compound ID 18VwhqHsfVw
InChI InChI=1S/C21H26O3S/c1-20(2)16-8-10-21(20)14-25(23)17(9-11-22)13-18(24-19(21)12-16)15-6-4-3-5-7-15/h3-7,9,11,16,18-19H,8,10,12-14H2,1-2H3/b17-9+/t16-,18-,19-,21-,25?/m1/s1
InChIKey DSXINHZZRRXADV-XVEHCDODSA-N
Mol Weight 358.5 g/mol
Molecular Formula C21H26O3S
Exact Mass 358.160266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cenpl68g1i4
Name (E,1S,6R,8R,10R,Rs)-13,13-Dimethyl-4-(formylmethylidene)-6-phenyl-7-oxa-3-thiatricyclo[8.2.1.0(1,8)]tridecane 3-oxide
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Formula C21H26O3S
InChI InChI=1S/C21H26O3S/c1-20(2)16-8-10-21(20)14-25(23)17(9-11-22)13-18(24-19(21)12-16)15-6-4-3-5-7-15/h3-7,9,11,16,18-19H,8,10,12-14H2,1-2H3/b17-9+/t16-,18-,19-,21-,25?/m1/s1
InChIKey DSXINHZZRRXADV-XVEHCDODSA-N
Molecular Weight 358.496 g/mol
SMILES [C@]123[C@](O[C@@](c4ccccc4)(C\C([S@@+](C1)[O-])=C/C=O)[H])(C[C@@](C2(C)C)([H])CC3)[H]
SPLASH splash10-0ard-9500000000-1b09885a3db0eebb9493
Source of Spectrum KC-0-275-4
Synonyms (2E)-[(1S,6R,8R,10R)-13,13-dimethyl-3-oxido-6-phenyl-7-oxa-3-thiatricyclo[8.2.1.0(1,8)]tridec-4-ylidene]ethanal
Wiley ID 822255