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12d-Methyl-8b,12b-bis[(trifluoroacetyl)oxy]-12b,12d-dihydrodibenzo[2,3:4,5]pentaleno[1,6-ab]inden-4b(8bH)-yl trifluoroacetate
SpectraBase Compound ID H86L5LjOv46
InChI InChI=1S/C29H15F9O6/c1-23-24(42-20(39)27(30,31)32)14-8-2-3-9-15(14)25(23,43-21(40)28(33,34)35)18-12-6-7-13-19(18)26(23,44-22(41)29(36,37)38)17-11-5-4-10-16(17)24/h2-13H,1H3/t23-,24-,25+,26-
InChIKey RWCQSUZGFWEXAC-BWBVDQRNSA-N
Mol Weight 630.42 g/mol
Molecular Formula C29H15F9O6
Exact Mass 630.072492 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EcPioPUGPT2
Name 12d-Methyl-8b,12b-bis[(trifluoroacetyl)oxy]-12b,12d-dihydrodibenzo[2,3:4,5]pentaleno[1,6-ab]inden-4b(8bH)-yl trifluoroacetate
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Formula C29H15F9O6
InChI InChI=1S/C29H15F9O6/c1-23-24(42-20(39)27(30,31)32)14-8-2-3-9-15(14)25(23,43-21(40)28(33,34)35)18-12-6-7-13-19(18)26(23,44-22(41)29(36,37)38)17-11-5-4-10-16(17)24/h2-13H,1H3/t23-,24-,25+,26-
InChIKey RWCQSUZGFWEXAC-BWBVDQRNSA-N
Molecular Weight 630.419 g/mol
SMILES C12([C@]3(c4ccccc4[C@@]2(c2ccccc2[C@@]1(c1ccccc31)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)C
SPLASH splash10-014i-0031091000-71992bf9cc5dcb8ba8ed
Source of Spectrum KC-57-3604-36
Wiley ID 1623923