For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2,2,2-trifluoroethyl 2-(1-adamantylmethylcarbamoyl)cyclohexane-1-carboxylate
SpectraBase Compound ID L3rhjQeK1QS
InChI InChI=1S/C21H30F3NO3/c22-21(23,24)12-28-19(27)17-4-2-1-3-16(17)18(26)25-11-20-8-13-5-14(9-20)7-15(6-13)10-20/h13-17H,1-12H2,(H,25,26)/t13-,14+,15-,16?,17?,20-
InChIKey TUECUVUZQHPREZ-FLUKLYOBSA-N
Mol Weight 401.47 g/mol
Molecular Formula C21H30F3NO3
Exact Mass 401.217778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JaUUwXDUUo3
Name 2,2,2-trifluoroethyl 2-(1-adamantylmethylcarbamoyl)cyclohexane-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30F3NO3
InChI InChI=1S/C21H30F3NO3/c22-21(23,24)12-28-19(27)17-4-2-1-3-16(17)18(26)25-11-20-8-13-5-14(9-20)7-15(6-13)10-20/h13-17H,1-12H2,(H,25,26)/t13-,14+,15-,16?,17?,20-
InChIKey TUECUVUZQHPREZ-FLUKLYOBSA-N
Molecular Weight 401.470 g/mol
SMILES N(C(=O)C1C(CCCC1)C(OCC(F)(F)F)=O)CC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]
SPLASH splash10-003l-9400000000-b59c186eada2e95962b7
Synonyms 2,2,2-trifluoroethyl 2-(1-adamantylmethylcarbamoyl)cyclohexanecarboxylate 2,2,2-tris(fluoranyl)ethyl 2-(1-adamantylmethylcarbamoyl)cyclohexane-1-carboxylate 2-(1-adamantylmethylcarbamoyl)cyclohexanecarboxylic acid 2,2,2-trifluoroethyl ester 2-[(1-adamantylmethylamino)-oxomethyl]-1-cyclohexanecarboxylic acid 2,2,2-trifluoroethyl ester
Wiley ID 1445602