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2-(3,4-Dimethoxyphenyl)thylamine, N-chlorodifluoroacetyl-

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

2-(3,4-Dimethoxyphenyl)thylamine, N-chlorodifluoroacetyl-
SpectraBase Compound ID DehWzQpFtXG
InChI InChI=1S/C12H14ClF2NO3/c1-18-9-4-3-8(7-10(9)19-2)5-6-16-11(17)12(13,14)15/h3-4,7H,5-6H2,1-2H3,(H,16,17)
InChIKey SPUUMAFFKKBVHV-UHFFFAOYSA-N
Mol Weight 293.7 g/mol
Molecular Formula C12H14ClF2NO3
Exact Mass 293.063027 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5RWKUEWG36i
Name 2-(3,4-Dimethoxyphenyl)thylamine, N-chlorodifluoroacetyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 293.063027338 u
Formula C12H14ClF2NO3
InChI InChI=1S/C12H14ClF2NO3/c1-18-9-4-3-8(7-10(9)19-2)5-6-16-11(17)12(13,14)15/h3-4,7H,5-6H2,1-2H3,(H,16,17)
InChIKey SPUUMAFFKKBVHV-UHFFFAOYSA-N
Molecular Weight 293.698 g/mol
SMILES C1=C(C(=CC=C1CCNC(C(F)(F)Cl)=O)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947978