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(1R,5R)-3-[[(1R,2S)-2-(Acetoxy)cyclopentyl]oxy]-4H-1,5-benzodithiepine 1,5-dioxide
SpectraBase Compound ID GDG0s40RElb
InChI InChI=1S/C16H18O5S2/c1-11(17)20-13-5-4-6-14(13)21-12-9-22(18)15-7-2-3-8-16(15)23(19)10-12/h2-3,7-9,13-14H,4-6,10H2,1H3/t13-,14+,22?,23?/m0/s1
InChIKey VINLXDGVOXOEDD-HALFDYLASA-N
Mol Weight 354.44 g/mol
Molecular Formula C16H18O5S2
Exact Mass 354.059566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LqAHlaf1oLb
Name (1R,5R)-3-[[(1R,2S)-2-(Acetoxy)cyclopentyl]oxy]-4H-1,5-benzodithiepine 1,5-dioxide
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Formula C16H18O5S2
InChI InChI=1S/C16H18O5S2/c1-11(17)20-13-5-4-6-14(13)21-12-9-22(18)15-7-2-3-8-16(15)23(19)10-12/h2-3,7-9,13-14H,4-6,10H2,1H3/t13-,14+,22?,23?/m0/s1
InChIKey VINLXDGVOXOEDD-HALFDYLASA-N
Molecular Weight 354.435 g/mol
SMILES c12[S@@](C=C(C[S@](c2cccc1)=O)O[C@]1([C@@](OC(=O)C)(CCC1)[H])[H])=O
SPLASH splash10-000i-9300000000-2d4b96400c0853d24fda
Source of Spectrum J-65-3291-8
Synonyms (1S,2R)-2-[(1,5-dioxido-2H-1,5-benzodithiepin-3-yl)oxy]cyclopentyl acetate
Wiley ID 1532244