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2-Methoxy-5-methylphenol, heptafluorobutyrate

View entire compound with spectra: 1 FTIR

2-Methoxy-5-methylphenol, heptafluorobutyrate
SpectraBase Compound ID 4qmavTLxweJ
InChI InChI=1S/C12H9F7O3/c1-6-3-4-7(21-2)8(5-6)22-9(20)10(13,14)11(15,16)12(17,18)19/h3-5H,1-2H3
InChIKey BLTOMWJXJXCXQH-UHFFFAOYSA-N
Mol Weight 334.19 g/mol
Molecular Formula C12H9F7O3
Exact Mass 334.043991 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JO62HhzvlC7
Name 2-Methoxy-5-methylphenol, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.043991288 u
Formula C12H9F7O3
InChI InChI=1S/C12H9F7O3/c1-6-3-4-7(21-2)8(5-6)22-9(20)10(13,14)11(15,16)12(17,18)19/h3-5H,1-2H3
InChIKey BLTOMWJXJXCXQH-UHFFFAOYSA-N
Molecular Weight 334.190 g/mol
SMILES C1(=C(C=CC(=C1)C)OC)OC(=O)C(C(C(F)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.866654