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3-Chloro-1,2-propanediol, bis(trifluoroacetate)

View entire compound with spectra: 1 FTIR

3-Chloro-1,2-propanediol, bis(trifluoroacetate)
SpectraBase Compound ID LAE85TNiAcB
InChI InChI=1S/C7H5ClF6O4/c8-1-3(18-5(16)7(12,13)14)2-17-4(15)6(9,10)11/h3H,1-2H2
InChIKey QUPWHULHRRWXQH-UHFFFAOYSA-N
Mol Weight 302.56 g/mol
Molecular Formula C7H5ClF6O4
Exact Mass 301.978055 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IONVUC8XRBj
Name 3-Chloro-1,2-propanediol, bis(trifluoroacetate)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 301.978055315 u
Formula C7H5ClF6O4
InChI InChI=1S/C7H5ClF6O4/c8-1-3(18-5(16)7(12,13)14)2-17-4(15)6(9,10)11/h3H,1-2H2
InChIKey QUPWHULHRRWXQH-UHFFFAOYSA-N
Molecular Weight 302.556 g/mol
SMILES C(OC(CCl)COC(C(F)(F)F)=O)(C(F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.986158