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Trans-4-aminocyclohexanol, N-heptafluorobutyryl

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

Trans-4-aminocyclohexanol, N-heptafluorobutyryl
SpectraBase Compound ID EpvSqNRrzU1
InChI InChI=1S/C10H12F7NO2/c11-8(12,9(13,14)10(15,16)17)7(20)18-5-1-3-6(19)4-2-5/h5-6,19H,1-4H2,(H,18,20)
InChIKey LZWXNHIAQTYOTA-UHFFFAOYSA-N
Mol Weight 311.2 g/mol
Molecular Formula C10H12F7NO2
Exact Mass 311.075626 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Fa2hzo7Z9ui
Name Trans-4-aminocyclohexanol, N-heptafluorobutyryl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.075625769 u
Formula C10H12F7NO2
InChI InChI=1S/C10H12F7NO2/c11-8(12,9(13,14)10(15,16)17)7(20)18-5-1-3-6(19)4-2-5/h5-6,19H,1-4H2,(H,18,20)
InChIKey LZWXNHIAQTYOTA-UHFFFAOYSA-N
Molecular Weight 311.200 g/mol
SMILES C1(CCC(CC1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.849112