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1-[(1S)-1-(chloromethyl)-2,2,2-trifluoro-ethyl]piperidine

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

1-[(1S)-1-(chloromethyl)-2,2,2-trifluoro-ethyl]piperidine
SpectraBase Compound ID 8NIvbabeVWU
InChI InChI=1S/C8H13ClF3N/c9-6-7(8(10,11)12)13-4-2-1-3-5-13/h7H,1-6H2/t7-/m1/s1
InChIKey VSMPYGUIYVIGRN-SSDOTTSWSA-N
Mol Weight 215.65 g/mol
Molecular Formula C8H13ClF3N
Exact Mass 215.068862 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9kNo7iAgXZk
Name 1-[(1S)-1-(Chloromethyl)-2,2,2-trifluoro-ethyl]piperidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 215.068861612 u
Formula C8H13ClF3N
InChI InChI=1S/C8H13ClF3N/c9-6-7(8(10,11)12)13-4-2-1-3-5-13/h7H,1-6H2/t7-/m1/s1
InChIKey VSMPYGUIYVIGRN-SSDOTTSWSA-N
Molecular Weight 215.647 g/mol
SMILES C([C@](N1CCCCC1)(CCl)[H])(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.91242