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Trans-2-phenylcyclopropylamine, N-chlorodifluoroacetyl-

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

Trans-2-phenylcyclopropylamine, N-chlorodifluoroacetyl-
SpectraBase Compound ID 5WrbJkWS6GM
InChI InChI=1S/C11H10ClF2NO/c12-11(13,14)10(16)15-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,15,16)
InChIKey HJPJJHZQUBYLFY-UHFFFAOYSA-N
Mol Weight 245.66 g/mol
Molecular Formula C11H10ClF2NO
Exact Mass 245.041898 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1Q3gX0Jw2hj
Name Trans-2-phenylcyclopropylamine, N-chlorodifluoroacetyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 245.041897971 u
Formula C11H10ClF2NO
InChI InChI=1S/C11H10ClF2NO/c12-11(13,14)10(16)15-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,15,16)
InChIKey HJPJJHZQUBYLFY-UHFFFAOYSA-N
Molecular Weight 245.657 g/mol
SMILES C1(CC1NC(C(F)(F)Cl)=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.80377