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(4'R,5'R)-Spiro[1,5-benzodithiepane-3,2'-[4.5]diethoxycarbonyl[1,3]dioxolane]
SpectraBase Compound ID AUPvuRwQjEk
InChI InChI=1S/C17H20O6S2/c1-3-20-15(18)13-14(16(19)21-4-2)23-17(22-13)9-24-11-7-5-6-8-12(11)25-10-17/h5-8,13-14H,3-4,9-10H2,1-2H3/t13-,14-/m1/s1
InChIKey ALEONKGYTMNTGX-ZIAGYGMSSA-N
Mol Weight 384.46 g/mol
Molecular Formula C17H20O6S2
Exact Mass 384.070131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID QzALpgDIRq
Name (4'R,5'R)-Spiro[1,5-benzodithiepane-3,2'-[4.5]diethoxycarbonyl[1,3]dioxolane]
Alternate Name(s) 4',5'-diethyl (4'R,5'R)-2,4-dihydrospiro[1,5-benzodithiepine-3,2'-[1,3]dioxolane]-4',5'-dicarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C17H20O6S2
InChI InChI=1S/C17H20O6S2/c1-3-20-15(18)13-14(16(19)21-4-2)23-17(22-13)9-24-11-7-5-6-8-12(11)25-10-17/h5-8,13-14H,3-4,9-10H2,1-2H3/t13-,14-/m1/s1
InChIKey ALEONKGYTMNTGX-ZIAGYGMSSA-N
Molecular Weight 384.461 g/mol
SMILES [C@]1([C@@](OC2(O1)CSc1ccccc1SC2)(C(=O)OCC)[H])(C(=O)OCC)[H]
SPLASH splash10-0udi-0901000000-29aea8562d64ba65eabe
Source of Spectrum J-65-3288-3
Wiley ID 1532255