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

View entire compound with spectra: 1 FTIR

2-Methoxybenzylamine, N,N-bis(heptafluorobutyryl)-
SpectraBase Compound ID 5b0Wwri3iSt
InChI InChI=1S/C16H9F14NO3/c1-34-8-5-3-2-4-7(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 VMIBORVPBFYLFB-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 BpBWH1r9xLY
Name 2-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/c1-34-8-5-3-2-4-7(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 VMIBORVPBFYLFB-UHFFFAOYSA-N
Molecular Weight 529.230 g/mol
SMILES C1(OC)=C(C=CC=C1)CN(C(=O)C(C(F)(C(F)(F)F)F)(F)F)C(C(F)(C(C(F)(F)F)(F)F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.818217