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Trifluoromethanesulfonic acid-8-chloro-5-oxo-10,11-dihydro-5H-dibenzo[a,d]cycloheptene-1-yl ester
SpectraBase Compound ID 8yQv96CP8FZ
InChI InChI=1S/C16H10ClF3O4S/c17-10-5-7-11-9(8-10)4-6-12-13(15(11)21)2-1-3-14(12)24-25(22,23)16(18,19)20/h1-3,5,7-8H,4,6H2
InChIKey BDDZMWJAWUMCBV-UHFFFAOYSA-N
Mol Weight 390.76 g/mol
Molecular Formula C16H10ClF3O4S
Exact Mass 389.994042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9zRz9jgjuAD
Name Trifluoromethanesulfonic acid-8-chloro-5-oxo-10,11-dihydro-5H-dibenzo[a,d]cycloheptene-1-yl ester
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Formula C16H10ClF3O4S
InChI InChI=1S/C16H10ClF3O4S/c17-10-5-7-11-9(8-10)4-6-12-13(15(11)21)2-1-3-14(12)24-25(22,23)16(18,19)20/h1-3,5,7-8H,4,6H2
InChIKey BDDZMWJAWUMCBV-UHFFFAOYSA-N
Instrument Name Hewlett Packard HP 5973
Ionization Type EI
Molecular Weight 390.760 g/mol
SMILES C1Cc2cc(Cl)ccc2C(=O)c2cccc(OS(C(F)(F)F)(=O)=O)c12
SPLASH splash10-0006-0259000000-5b3979b376b65c69ac47
Source of Spectrum WO2010040843A2
Wiley ID 1842812