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dl-3-Methyl-2-butanol, heptafluorobutyrate

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

dl-3-Methyl-2-butanol, heptafluorobutyrate
SpectraBase Compound ID Jn1kmGO93wn
InChI InChI=1S/C9H11F7O2/c1-4(2)5(3)18-6(17)7(10,11)8(12,13)9(14,15)16/h4-5H,1-3H3
InChIKey GNWGNPSNJLOPMT-UHFFFAOYSA-N
Mol Weight 284.17 g/mol
Molecular Formula C9H11F7O2
Exact Mass 284.064727 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8u2jvW9iNLv
Name dl-3-Methyl-2-butanol, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.064726733 u
Formula C9H11F7O2
InChI InChI=1S/C9H11F7O2/c1-4(2)5(3)18-6(17)7(10,11)8(12,13)9(14,15)16/h4-5H,1-3H3
InChIKey GNWGNPSNJLOPMT-UHFFFAOYSA-N
Molecular Weight 284.174 g/mol
SMILES CC(C(C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962252