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2'-Hydroxy-5'-methoxyacetophenone, pentafluoropropionate

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2'-Hydroxy-5'-methoxyacetophenone, pentafluoropropionate
SpectraBase Compound ID ELt48cY3v61
InChI InChI=1S/C12H9F5O4/c1-6(18)8-5-7(20-2)3-4-9(8)21-10(19)11(13,14)12(15,16)17/h3-5H,1-2H3
InChIKey SSTXCVKHZDCRLY-UHFFFAOYSA-N
Mol Weight 312.19 g/mol
Molecular Formula C12H9F5O4
Exact Mass 312.0421 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LNX939ecXtx
Name 2'-Hydroxy-5'-methoxyacetophenone, pentafluoropropionate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.042099581 u
Formula C12H9F5O4
InChI InChI=1S/C12H9F5O4/c1-6(18)8-5-7(20-2)3-4-9(8)21-10(19)11(13,14)12(15,16)17/h3-5H,1-2H3
InChIKey SSTXCVKHZDCRLY-UHFFFAOYSA-N
Molecular Weight 312.192 g/mol
SMILES C1(C(=O)C)=C(C=CC(=C1)OC)OC(C(C(F)(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.97216