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endo-[4aR,5S,8R,8aS,(S)S]-5,8-Methano-2(2'-methoxynaphthylsulfinyl)-4a,5,8,8a-tetrahydro-1,4-naphthoquinone
SpectraBase Compound ID 1cNhq3djaxP
InChI InChI=1S/C22H18O4S/c1-26-17-9-8-12-4-2-3-5-15(12)22(17)27(25)18-11-16(23)19-13-6-7-14(10-13)20(19)21(18)24/h2-9,11,13-14,19-20H,10H2,1H3/t13-,14+,19+,20+,27?/m1/s1
InChIKey LLNHWEHBHCGIKT-IZXFDAKKSA-N
Mol Weight 378.44 g/mol
Molecular Formula C22H18O4S
Exact Mass 378.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ak4GkCa5RL7
Name endo-[4aS,5R,8S,8aR,(S)S]-5,8-Methano-2(2'-methoxynaphthylsulfinyl)-4a,5,8,8a-tetrahydro-1,4-naphthoquinone
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Formula C22H18O4S
InChI InChI=1S/C22H18O4S/c1-26-17-9-8-12-4-2-3-5-15(12)22(17)27(25)18-11-16(23)19-13-6-7-14(10-13)20(19)21(18)24/h2-9,11,13-14,19-20H,10H2,1H3/t13-,14+,19+,20+,27?/m1/s1
InChIKey LLNHWEHBHCGIKT-IZXFDAKKSA-N
Molecular Weight 378.442 g/mol
SMILES C=1(S(c2c3c(cccc3)ccc2OC)=O)C([C@]2([C@]3(C=C[C@@]([C@]2(C(C1)=O)[H])(C3)[H])[H])[H])=O
SPLASH splash10-0a4i-1901000000-e60bd57c0f0bcd167904
Source of Spectrum J-65-458-8
Synonyms 4-[(2-methoxy-1-naphthyl)sulfinyl]tricyclo[6.2.1.0(2,7)]undeca-4,9-diene-3,6-dione
Wiley ID 1532038