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7,7,10-Trimethyl-10-[4'-(acetoxy)-2'-iodo-2'-butenyl]-9[R]-[(.alpha.-methoxy, .alpha.-trifluoromethyl.,alpha.-phenyl)acetoxy]-1,4-dioxaspiro[4.5]decane
SpectraBase Compound ID 85SX2A4T09X
InChI InChI=1S/C27H34F3IO7/c1-18-15-23(3,4)17-25(36-13-14-37-25)24(18,16-21(31)11-12-35-19(2)32)38-22(33)26(34-5,27(28,29)30)20-9-7-6-8-10-20/h6-11,18H,12-17H2,1-5H3/b21-11-/t18-,24-,26?/m0/s1
InChIKey FQUPBQRLDKRVCO-CFMTXZCWSA-N
Mol Weight 654.5 g/mol
Molecular Formula C27H34F3IO7
Exact Mass 654.130133 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BCxAAy6mXsh
Name 7,7,10-Trimethyl-10-[4'-(acetoxy)-2'-iodo-2'-butenyl]-9[R]-[(.alpha.-methoxy, .alpha.-trifluoromethyl.,alpha.-phenyl)acetoxy]-1,4-dioxaspiro[4.5]decane
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Formula C27H34F3IO7
InChI InChI=1S/C27H34F3IO7/c1-18-15-23(3,4)17-25(36-13-14-37-25)24(18,16-21(31)11-12-35-19(2)32)38-22(33)26(34-5,27(28,29)30)20-9-7-6-8-10-20/h6-11,18H,12-17H2,1-5H3/b21-11-/t18-,24-,26?/m0/s1
InChIKey FQUPBQRLDKRVCO-CFMTXZCWSA-N
Molecular Weight 654.462 g/mol
SMILES [C@@]1(C2(CC(C[C@@]1(C)[H])(C)C)OCCO2)(OC(C(C(F)(F)F)(c1ccccc1)OC)=O)C\C(=C\COC(=O)C)I
SPLASH splash10-0udr-0300129000-0f673ea1699d5148d34d
Source of Spectrum C-121-1224-R-28
Synonyms R-MTPA Ester
Wiley ID 1700385