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N,N-di-N-Heptyltrifluoroacetamide

View entire compound with spectra: 1 NMR, and 1 FTIR

N,N-di-N-Heptyltrifluoroacetamide
SpectraBase Compound ID AdFqy3xFnBn
InChI InChI=1S/C16H30F3NO/c1-3-5-7-9-11-13-20(15(21)16(17,18)19)14-12-10-8-6-4-2/h3-14H2,1-2H3
InChIKey UNPFSVSIIMWVJK-UHFFFAOYSA-N
Mol Weight 309.42 g/mol
Molecular Formula C16H30F3NO
Exact Mass 309.227949 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IBRmHK8Fk22
Name N,N-di-N-Heptyltrifluoroacetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 309.227949078 u
Formula C16H30F3NO
InChI InChI=1S/C16H30F3NO/c1-3-5-7-9-11-13-20(15(21)16(17,18)19)14-12-10-8-6-4-2/h3-14H2,1-2H3
InChIKey UNPFSVSIIMWVJK-UHFFFAOYSA-N
Molecular Weight 309.417 g/mol
SMILES C(N(CCCCCCC)CCCCCCC)(=O)C(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95242