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4-Methylcatechol, di(trifluoroacetate)

View entire compound with spectra: 1 FTIR

4-Methylcatechol, di(trifluoroacetate)
SpectraBase Compound ID 6DmazNkKKUs
InChI InChI=1S/C11H6F6O4/c1-5-2-3-6(20-8(18)10(12,13)14)7(4-5)21-9(19)11(15,16)17/h2-4H,1H3
InChIKey MNKNKWFPGKLRDQ-UHFFFAOYSA-N
Mol Weight 316.16 g/mol
Molecular Formula C11H6F6O4
Exact Mass 316.017028 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID B4l0CoHplse
Name 4-Methylcatechol, di(trifluoroacetate)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.017027647 u
Formula C11H6F6O4
InChI InChI=1S/C11H6F6O4/c1-5-2-3-6(20-8(18)10(12,13)14)7(4-5)21-9(19)11(15,16)17/h2-4H,1H3
InChIKey MNKNKWFPGKLRDQ-UHFFFAOYSA-N
Molecular Weight 316.155 g/mol
SMILES C1=C(C(=CC=C1C)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.83837