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2-Propyl-1-pentanol, heptafluorobutyrate

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

2-Propyl-1-pentanol, heptafluorobutyrate
SpectraBase Compound ID 4QywPseBySA
InChI InChI=1S/C12H17F7O2/c1-3-5-8(6-4-2)7-21-9(20)10(13,14)11(15,16)12(17,18)19/h8H,3-7H2,1-2H3
InChIKey IAFXWRBSWIQDCN-UHFFFAOYSA-N
Mol Weight 326.25 g/mol
Molecular Formula C12H17F7O2
Exact Mass 326.111677 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ax1qv0DERNp
Name 2-Propyl-1-pentanol, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.111676926 u
Formula C12H17F7O2
InChI InChI=1S/C12H17F7O2/c1-3-5-8(6-4-2)7-21-9(20)10(13,14)11(15,16)12(17,18)19/h8H,3-7H2,1-2H3
InChIKey IAFXWRBSWIQDCN-UHFFFAOYSA-N
Molecular Weight 326.255 g/mol
SMILES CCCC(COC(=O)C(C(C(F)(F)F)(F)F)(F)F)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940502