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(Sp)-12-bromo[2.2]paracyclophan-4-yltrifluoromethanesulfonate

View entire compound with spectra: 1 MS (GC)

(Sp)-12-bromo[2.2]paracyclophan-4-yltrifluoromethanesulfonate
SpectraBase Compound ID 8OEe3R5vkne
InChI InChI=1S/C17H14BrF3O3S/c18-15-9-11-1-5-13(15)6-2-12-4-8-14(7-3-11)16(10-12)24-25(22,23)17(19,20)21/h1,4-5,8-10H,2-3,6-7H2
InChIKey CQUCHBHOAOVKCY-UHFFFAOYSA-N
Mol Weight 435.26 g/mol
Molecular Formula C17H14BrF3O3S
Exact Mass 433.979913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IfQcCGUNGV2
Name (Sp)-12-bromo[2.2]paracyclophan-4-yltrifluoromethanesulfonate
Comments Less than 3 mono-isotopic peaks
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Formula C17H14BrF3O3S
InChI InChI=1S/C17H14BrF3O3S/c18-15-9-11-1-5-13(15)6-2-12-4-8-14(7-3-11)16(10-12)24-25(22,23)17(19,20)21/h1,4-5,8-10H,2-3,6-7H2
InChIKey CQUCHBHOAOVKCY-UHFFFAOYSA-N
Molecular Weight 435.255 g/mol
SMILES C(S(Oc1c2CCc3cc(c(CCc(c1)cc2)cc3)Br)(=O)=O)(F)(F)F
SPLASH splash10-0019-0000900000-40f9584a4564ddda8c3a
Source of Spectrum QC-22-988-4
Wiley ID 1705223