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3-Oxypentanol, 5-chloro, heptafluorobutyrate
SpectraBase Compound ID EiBe0DWa4qT
InChI InChI=1S/C8H8ClF7O3/c9-1-2-18-3-4-19-5(17)6(10,11)7(12,13)8(14,15)16/h1-4H2
InChIKey VFWWIOIQKUUHFJ-UHFFFAOYSA-N
Mol Weight 320.59 g/mol
Molecular Formula C8H8ClF7O3
Exact Mass 320.005019 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ECB72Abp9ag
Name 3-Oxypentanol, 5-chloro, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.005018956 u
Formula C8H8ClF7O3
InChI InChI=1S/C8H8ClF7O3/c9-1-2-18-3-4-19-5(17)6(10,11)7(12,13)8(14,15)16/h1-4H2
InChIKey VFWWIOIQKUUHFJ-UHFFFAOYSA-N
Molecular Weight 320.591 g/mol
SMILES C(Cl)COCCOC(=O)C(C(C(F)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.820989