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4-Methoxybenzylamine, N,N-bis(heptafluorobutyryl)-

View entire compound with spectra: 1 FTIR

4-Methoxybenzylamine, N,N-bis(heptafluorobutyryl)-
SpectraBase Compound ID Eu9HOPL6nvz
InChI InChI=1S/C16H9F14NO3/c1-34-8-4-2-7(3-5-8)6-31(9(32)11(17,18)13(21,22)15(25,26)27)10(33)12(19,20)14(23,24)16(28,29)30/h2-5H,6H2,1H3
InChIKey UYWWVXQBCPMAQX-UHFFFAOYSA-N
Mol Weight 529.23 g/mol
Molecular Formula C16H9F14NO3
Exact Mass 529.035887 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6NOfMhU39yC
Name 4-Methoxybenzylamine, N,N-bis(heptafluorobutyryl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 529.035887433 u
Formula C16H9F14NO3
InChI InChI=1S/C16H9F14NO3/c1-34-8-4-2-7(3-5-8)6-31(9(32)11(17,18)13(21,22)15(25,26)27)10(33)12(19,20)14(23,24)16(28,29)30/h2-5H,6H2,1H3
InChIKey UYWWVXQBCPMAQX-UHFFFAOYSA-N
Molecular Weight 529.230 g/mol
SMILES C1=C(C=CC(=C1)OC)CN(C(C(C(F)(C(F)(F)F)F)(F)F)=O)C(=O)C(F)(C(C(F)(F)F)(F)F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.92316