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(3aS,4R,8S,8aR)-2,2-dimethyl-3a,4,5,7,8,8a-hexahydrothiepino[4,5-d][1,3]dioxole-4,8-diol

View entire compound with spectra: 1 MS (GC)

(3aS,4R,8S,8aR)-2,2-dimethyl-3a,4,5,7,8,8a-hexahydrothiepino[4,5-d][1,3]dioxole-4,8-diol
SpectraBase Compound ID 1trHAD8D90t
InChI InChI=1S/C9H16O4S/c1-9(2)12-7-5(10)3-14-4-6(11)8(7)13-9/h5-8,10-11H,3-4H2,1-2H3/t5-,6+,7-,8+
InChIKey AMTZCFFTUVSCSK-KVFPUHGPSA-N
Mol Weight 220.28 g/mol
Molecular Formula C9H16O4S
Exact Mass 220.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ENL51FI2Xjs
Name (3aS,4R,8S,8aR)-2,2-dimethyl-3a,4,5,7,8,8a-hexahydrothiepino[4,5-d][1,3]dioxole-4,8-diol
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Formula C9H16O4S
InChI InChI=1S/C9H16O4S/c1-9(2)12-7-5(10)3-14-4-6(11)8(7)13-9/h5-8,10-11H,3-4H2,1-2H3/t5-,6+,7-,8+
InChIKey AMTZCFFTUVSCSK-KVFPUHGPSA-N
Molecular Weight 220.283 g/mol
SMILES O[C@@]1([C@]2([C@@]([C@@](CSC1)(O)[H])(OC(O2)(C)C)[H])[H])[H]
SPLASH splash10-0pb9-9440000000-8aba21a679bfc603a8e2
Source of Spectrum F-70-668-6
Wiley ID 1596172