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N-{(2S)-2-Iodo-3-perfluoroethylpropanoyl}-(1S,2R,4R)-bornane-10,2-sultam
SpectraBase Compound ID 4RKBle8Ljmi
InChI InChI=1S/C15H19F5INO3S/c1-12(2)8-3-4-13(12)7-26(24,25)22(10(13)5-8)11(23)9(21)6-14(16,17)15(18,19)20/h8-10H,3-7H2,1-2H3/t8-,9+,10+,13-/m1/s1
InChIKey HOXCEJNYNDPCMF-KEPMVKOISA-N
Mol Weight 515.28 g/mol
Molecular Formula C15H19F5INO3S
Exact Mass 515.00505 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GpGsTLUaj5e
Name N-{(2S)-2-Iodo-3-perfluoroethylpropanoyl}-(1S,2R,4R)-bornane-10,2-sultam
Alternate Name(s) (S)-1-((3aS,6R,7aR)-8,8-dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)-4,4,5,5,5-pentafluoro-2-iodopentan-1-one
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Formula C15H19F5INO3S
InChI InChI=1S/C15H19F5INO3S/c1-12(2)8-3-4-13(12)7-26(24,25)22(10(13)5-8)11(23)9(21)6-14(16,17)15(18,19)20/h8-10H,3-7H2,1-2H3/t8-,9+,10+,13-/m1/s1
InChIKey HOXCEJNYNDPCMF-KEPMVKOISA-N
Molecular Weight 515.277 g/mol
SMILES C(F)(F)(C[C@@](C(N1S(C[C@]23CC[C@@](C3(C)C)(C[C@]12[H])[H])(=O)=O)=O)(I)[H])C(F)(F)F
SPLASH splash10-00e9-0913000000-ec05eca7c56e2f732edc
Source of Spectrum A1-9-2513/SMS6-16_minorisomer
Wiley ID 1758182