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N-[1-[(adamantan-1-ylmethyl)-amino]-2,2,2-trifluoro-1-trifluoromethyl-ethyl]-2-fluoro-benzamide
SpectraBase Compound ID A5zNl4r6GTX
InChI InChI=1S/C21H23F7N2O/c22-16-4-2-1-3-15(16)17(31)30-19(20(23,24)25,21(26,27)28)29-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14,29H,5-11H2,(H,30,31)/t12-,13+,14-,18-
InChIKey AVAVQKSMHAZLIJ-WXZYKRPKSA-N
Mol Weight 452.42 g/mol
Molecular Formula C21H23F7N2O
Exact Mass 452.169861 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 40MZu7bQIo5
Name N-[1-[(adamantan-1-ylmethyl)-amino]-2,2,2-trifluoro-1-trifluoromethyl-ethyl]-2-fluoro-benzamide
Alternate Name(s) N-[1-(1-adamantylmethylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-2-fluoro-benzamide N-[2-(1-adamantylmethylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-fluorobenzamide N-[2-(1-adamantylmethylamino)-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]-2-fluoranyl-benzamide
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Formula C21H23F7N2O
InChI InChI=1S/C21H23F7N2O/c22-16-4-2-1-3-15(16)17(31)30-19(20(23,24)25,21(26,27)28)29-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14,29H,5-11H2,(H,30,31)/t12-,13+,14-,18-
InChIKey AVAVQKSMHAZLIJ-WXZYKRPKSA-N
Molecular Weight 452.417 g/mol
SMILES N(C(C(F)(F)F)(C(F)(F)F)NCC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(c1c(F)cccc1)=O
SPLASH splash10-01ox-0900000000-55bbf20587c231a32520
Wiley ID 1464537