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2-Ethyl-1-butanol, heptafluorobutyrate

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

2-Ethyl-1-butanol, heptafluorobutyrate
SpectraBase Compound ID JDp5G3O8fjV
InChI InChI=1S/C10H13F7O2/c1-3-6(4-2)5-19-7(18)8(11,12)9(13,14)10(15,16)17/h6H,3-5H2,1-2H3
InChIKey HANGFGBMFCYXQZ-UHFFFAOYSA-N
Mol Weight 298.2 g/mol
Molecular Formula C10H13F7O2
Exact Mass 298.080377 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BpEC9avb3Ks
Name 2-Ethyl-1-butanol, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.080376798 u
Formula C10H13F7O2
InChI InChI=1S/C10H13F7O2/c1-3-6(4-2)5-19-7(18)8(11,12)9(13,14)10(15,16)17/h6H,3-5H2,1-2H3
InChIKey HANGFGBMFCYXQZ-UHFFFAOYSA-N
Molecular Weight 298.201 g/mol
SMILES CCC(COC(=O)C(C(C(F)(F)F)(F)F)(F)F)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.902742