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(.+/-.)-bdb, N-chlorodifluoroacetyl-

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

(.+/-.)-bdb, N-chlorodifluoroacetyl-
SpectraBase Compound ID 9rptk6OUw3t
InChI InChI=1S/C13H14ClF2NO3/c1-2-9(17-12(18)13(14,15)16)5-8-3-4-10-11(6-8)20-7-19-10/h3-4,6,9H,2,5,7H2,1H3,(H,17,18)
InChIKey RNCVLYXKVIJKLN-UHFFFAOYSA-N
Mol Weight 305.71 g/mol
Molecular Formula C13H14ClF2NO3
Exact Mass 305.063027 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID f3RAle09RF
Name (.+/-.)-bdb, N-chlorodifluoroacetyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 305.063027338 u
Formula C13H14ClF2NO3
InChI InChI=1S/C13H14ClF2NO3/c1-2-9(17-12(18)13(14,15)16)5-8-3-4-10-11(6-8)20-7-19-10/h3-4,6,9H,2,5,7H2,1H3,(H,17,18)
InChIKey RNCVLYXKVIJKLN-UHFFFAOYSA-N
Molecular Weight 305.709 g/mol
SMILES C1(=CC=C2C(=C1)OCO2)CC(CC)NC(C(F)(F)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945898