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(3aS,4S,5R,7aS)-7a-(3,4-dimethoxyphenyl)-4,5-bis(methoxymethoxy)-4,5,6,7-tetrahydro-3aH-1,3-benzodioxole-2-thione
SpectraBase Compound ID 7TGdtUbOv0u
InChI InChI=1S/C19H26O8S/c1-20-10-24-14-7-8-19(12-5-6-13(22-3)15(9-12)23-4)17(26-18(28)27-19)16(14)25-11-21-2/h5-6,9,14,16-17H,7-8,10-11H2,1-4H3/t14-,16+,17+,19+/m1/s1
InChIKey XZBSCGHUUYZIGE-WMEZAQDKSA-N
Mol Weight 414.47 g/mol
Molecular Formula C19H26O8S
Exact Mass 414.134839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FeiCXcqTh1t
Name (3aS,4S,5R,7aS)-7a-(3,4-dimethoxyphenyl)-4,5-bis(methoxymethoxy)-4,5,6,7-tetrahydro-3aH-1,3-benzodioxole-2-thione
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Formula C19H26O8S
InChI InChI=1S/C19H26O8S/c1-20-10-24-14-7-8-19(12-5-6-13(22-3)15(9-12)23-4)17(26-18(28)27-19)16(14)25-11-21-2/h5-6,9,14,16-17H,7-8,10-11H2,1-4H3/t14-,16+,17+,19+/m1/s1
InChIKey XZBSCGHUUYZIGE-WMEZAQDKSA-N
Molecular Weight 414.469 g/mol
SMILES [C@@]12([C@@](OC(O2)=S)([C@@](OCOC)([C@@](CC1)(OCOC)[H])[H])[H])c1cc(OC)c(cc1)OC
SPLASH splash10-02t9-0094500000-6a32c3f06cd116939374
Source of Spectrum KC-0-278-11
Wiley ID 787208