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N-[2-(1-adamantylmethylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,4-dichlorobenzamide
SpectraBase Compound ID 207oGwWf8zl
InChI InChI=1S/C21H22Cl2F6N2O/c22-14-1-2-15(16(23)6-14)17(32)31-19(20(24,25)26,21(27,28)29)30-10-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13,30H,3-5,7-10H2,(H,31,32)/t11-,12+,13-,18-
InChIKey SSEHXLYWCJZVEL-MCXHQAMOSA-N
Mol Weight 503.32 g/mol
Molecular Formula C21H22Cl2F6N2O
Exact Mass 502.101338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AyTrtd78AoI
Name N-[2-(1-adamantylmethylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,4-dichlorobenzamide
Alternate Name(s) N-[2-(1-adamantylmethylamino)-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]-2,4-bis(chloranyl)benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22Cl2F6N2O
InChI InChI=1S/C21H22Cl2F6N2O/c22-14-1-2-15(16(23)6-14)17(32)31-19(20(24,25)26,21(27,28)29)30-10-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13,30H,3-5,7-10H2,(H,31,32)/t11-,12+,13-,18-
InChIKey SSEHXLYWCJZVEL-MCXHQAMOSA-N
Molecular Weight 503.316 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(cc(cc1)Cl)Cl)=O
SPLASH splash10-01ox-0900000000-6378860d75ec59a207d1
Wiley ID 1464544