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4-Bromo-2,5-dimethoxyphenethylamine, N-chlorodifluoroacetyl-

View entire compound with spectra: 1 FTIR

4-Bromo-2,5-dimethoxyphenethylamine, N-chlorodifluoroacetyl-
SpectraBase Compound ID FCMXy1QlvM5
InChI InChI=1S/C12H13BrClF2NO3/c1-19-9-6-8(13)10(20-2)5-7(9)3-4-17-11(18)12(14,15)16/h5-6H,3-4H2,1-2H3,(H,17,18)
InChIKey XDSJEMGDKLQYER-UHFFFAOYSA-N
Mol Weight 372.59 g/mol
Molecular Formula C12H13BrClF2NO3
Exact Mass 370.97354 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4QBZ0KHtT0j
Name 4-Bromo-2,5-dimethoxyphenethylamine, N-chlorodifluoroacetyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.973540306 u
Formula C12H13BrClF2NO3
InChI InChI=1S/C12H13BrClF2NO3/c1-19-9-6-8(13)10(20-2)5-7(9)3-4-17-11(18)12(14,15)16/h5-6H,3-4H2,1-2H3,(H,17,18)
InChIKey XDSJEMGDKLQYER-UHFFFAOYSA-N
Molecular Weight 372.594 g/mol
SMILES C1(=C(C=C(C(=C1)OC)Br)OC)CCNC(C(F)(F)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.822027