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2-Adamantyl trifluoroethyl ether

View entire compound with spectra: 1 NMR, and 1 FTIR

2-Adamantyl trifluoroethyl ether
SpectraBase Compound ID CEjE9fGgJVN
InChI InChI=1S/C12H17F3O/c13-12(14,15)6-16-11-9-2-7-1-8(4-9)5-10(11)3-7/h7-11H,1-6H2/t7-,8?,9-,10?,11?/m1/s1
InChIKey ZRSWGQRSAZRLLO-RJSQJPJBSA-N
Mol Weight 234.26 g/mol
Molecular Formula C12H17F3O
Exact Mass 234.12315 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AFat8M9z7gr
Name 2-Adamantyl trifluoroethyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.123149655 u
Formula C12H17F3O
InChI InChI=1S/C12H17F3O/c13-12(14,15)6-16-11-9-2-7-1-8(4-9)5-10(11)3-7/h7-11H,1-6H2/t7-,8?,9-,10?,11?/m1/s1
InChIKey ZRSWGQRSAZRLLO-RJSQJPJBSA-N
Molecular Weight 234.262 g/mol
SMILES [C@]12(C(C3CC(C2)C[C@](C1)(C3)[H])OCC(F)(F)F)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.859155