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1-Tert-butoxy-2-propanol, heptafluorobutyrate

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

1-Tert-butoxy-2-propanol, heptafluorobutyrate
SpectraBase Compound ID 1G8ZWKE0Ksf
InChI InChI=1S/C11H15F7O3/c1-6(5-20-8(2,3)4)21-7(19)9(12,13)10(14,15)11(16,17)18/h6H,5H2,1-4H3
InChIKey TTXDLKZACJODPX-UHFFFAOYSA-N
Mol Weight 328.23 g/mol
Molecular Formula C11H15F7O3
Exact Mass 328.090941 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ExBrit8PJm6
Name 1-Tert-butoxy-2-propanol, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.090941481 u
Formula C11H15F7O3
InChI InChI=1S/C11H15F7O3/c1-6(5-20-8(2,3)4)21-7(19)9(12,13)10(14,15)11(16,17)18/h6H,5H2,1-4H3
InChIKey TTXDLKZACJODPX-UHFFFAOYSA-N
Molecular Weight 328.227 g/mol
SMILES C(C(C)OC(C(C(C(F)(F)F)(F)F)(F)F)=O)OC(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954365