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(3aR,5S,6S,7R,7aR)-6,7-Diacetoxy-2,2-dimethyl-hexahydro-benzo[1,3]dioxole-5-carboxylic acid methyl ester
SpectraBase Compound ID FLhgu99pNw5
InChI InChI=1S/C15H22O8/c1-7(16)20-11-9(14(18)19-5)6-10-12(13(11)21-8(2)17)23-15(3,4)22-10/h9-13H,6H2,1-5H3/t9-,10+,11-,12+,13+/m0/s1
InChIKey MJQXSPWWWMJUEH-OBPIAQAESA-N
Mol Weight 330.33 g/mol
Molecular Formula C15H22O8
Exact Mass 330.131468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2RYv7SCJWNt
Name (3aR,5S,6S,7R,7aR)-6,7-Diacetoxy-2,2-dimethyl-hexahydro-benzo[1,3]dioxole-5-carboxylic acid methyl ester
Alternate Name(s) Methyl 6,7-bis(acetyloxy)-2,2-dimethyl-perhydro-1,3-benzodioxol-5-carboxylate (3aR,4R,5S,6S,7aR)-6-(methoxycarbonyl)-2,2-dimethylhexahydrobenzo[d][1,3]dioxole-4,5-diyl diacetate
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Formula C15H22O8
InChI InChI=1S/C15H22O8/c1-7(16)20-11-9(14(18)19-5)6-10-12(13(11)21-8(2)17)23-15(3,4)22-10/h9-13H,6H2,1-5H3/t9-,10+,11-,12+,13+/m0/s1
InChIKey MJQXSPWWWMJUEH-OBPIAQAESA-N
Molecular Weight 330.333 g/mol
SMILES [C@@]1([C@]([C@](C[C@@]2([C@]1(OC(C)(C)O2)[H])[H])(C(=O)OC)[H])(OC(=O)C)[H])(OC(=O)C)[H]
SPLASH splash10-0gb9-2927000000-77e5fa6faef6d842e814
Source of Spectrum F5-3-1960-24
Wiley ID 1732331