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Propanamide, 2,3,3,3-tetrafluoro-N-(3-hexyloxyphenyl)-2-methoxy-
SpectraBase Compound ID BnB0JmfLd0B
InChI InChI=1S/C16H21F4NO3/c1-3-4-5-6-10-24-13-9-7-8-12(11-13)21-14(22)15(17,23-2)16(18,19)20/h7-9,11H,3-6,10H2,1-2H3,(H,21,22)
InChIKey KLNYSPBVINWZSB-UHFFFAOYSA-N
Mol Weight 351.34 g/mol
Molecular Formula C16H21F4NO3
Exact Mass 351.145756 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GYdk7dz9rAG
Name Propanamide, 2,3,3,3-tetrafluoro-N-(3-hexyloxyphenyl)-2-methoxy-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 351.145756189 u
Formula C16H21F4NO3
InChI InChI=1S/C16H21F4NO3/c1-3-4-5-6-10-24-13-9-7-8-12(11-13)21-14(22)15(17,23-2)16(18,19)20/h7-9,11H,3-6,10H2,1-2H3,(H,21,22)
InChIKey KLNYSPBVINWZSB-UHFFFAOYSA-N
Molecular Weight 351.342 g/mol
SMILES C(C(NC1=CC(OCCCCCC)=CC=C1)=O)(C(F)(F)F)(F)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.855911