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2-Methyl-3-buten-2-ol, heptafluorobutyrate

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

2-Methyl-3-buten-2-ol, heptafluorobutyrate
SpectraBase Compound ID Nbqbxb6aVU
InChI InChI=1S/C9H9F7O2/c1-4-6(2,3)18-5(17)7(10,11)8(12,13)9(14,15)16/h4H,1H2,2-3H3
InChIKey OACFSDYVIMZLIH-UHFFFAOYSA-N
Mol Weight 282.16 g/mol
Molecular Formula C9H9F7O2
Exact Mass 282.049077 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GpzC52Xx4Sc
Name 2-Methyl-3-buten-2-ol, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.049076669 u
Formula C9H9F7O2
InChI InChI=1S/C9H9F7O2/c1-4-6(2,3)18-5(17)7(10,11)8(12,13)9(14,15)16/h4H,1H2,2-3H3
InChIKey OACFSDYVIMZLIH-UHFFFAOYSA-N
Molecular Weight 282.158 g/mol
SMILES C=CC(C)(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962503