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Tert-butyl 3-(4-(trifluoromethyl)phenyl)pyrrolidine-1-carboxylate

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Tert-butyl 3-(4-(trifluoromethyl)phenyl)pyrrolidine-1-carboxylate
SpectraBase Compound ID EOSLyxlgAF8
InChI InChI=1S/C16H20F3NO2/c1-15(2,3)22-14(21)20-9-8-12(10-20)11-4-6-13(7-5-11)16(17,18)19/h4-7,12H,8-10H2,1-3H3
InChIKey FFTUADWDIXTTHT-UHFFFAOYSA-N
Mol Weight 315.34 g/mol
Molecular Formula C16H20F3NO2
Exact Mass 315.144613 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CRGyp7IlLas
Name Tert-butyl 3-(4-(trifluoromethyl)phenyl)pyrrolidine-1-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 315.144613375 u
Formula C16H20F3NO2
InChI InChI=1S/C16H20F3NO2/c1-15(2,3)22-14(21)20-9-8-12(10-20)11-4-6-13(7-5-11)16(17,18)19/h4-7,12H,8-10H2,1-3H3
InChIKey FFTUADWDIXTTHT-UHFFFAOYSA-N
Molecular Weight 315.336 g/mol
SMILES C1CC(CN1C(=O)OC(C)(C)C)C1=CC=C(C=C1)C(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955346