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4-Ethoxy-3-hydroxybenzylamine, di-pfp

View entire compound with spectra: 1 FTIR

4-Ethoxy-3-hydroxybenzylamine, di-pfp
SpectraBase Compound ID JI2U7S4bvvk
InChI InChI=1S/C15H11F10NO4/c1-2-29-8-4-3-7(6-26-10(27)12(16,17)14(20,21)22)5-9(8)30-11(28)13(18,19)15(23,24)25/h3-5H,2,6H2,1H3,(H,26,27)
InChIKey MBNOGAYIUYLHAZ-UHFFFAOYSA-N
Mol Weight 459.24 g/mol
Molecular Formula C15H11F10NO4
Exact Mass 459.052839 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GN9Oc6TifRy
Name 4-Ethoxy-3-hydroxybenzylamine, di-pfp
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 459.052839464 u
Formula C15H11F10NO4
InChI InChI=1S/C15H11F10NO4/c1-2-29-8-4-3-7(6-26-10(27)12(16,17)14(20,21)22)5-9(8)30-11(28)13(18,19)15(23,24)25/h3-5H,2,6H2,1H3,(H,26,27)
InChIKey MBNOGAYIUYLHAZ-UHFFFAOYSA-N
Molecular Weight 459.240 g/mol
SMILES C1(=CC(=CC=C1OCC)CNC(=O)C(F)(F)C(F)(F)F)OC(C(F)(F)C(F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.855158