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4-Allyl-2-methoxyphenyl 2,2,3,3,4,4,4-heptafluorobutanoate

View entire compound with spectra: 1 NMR, and 1 FTIR

4-Allyl-2-methoxyphenyl 2,2,3,3,4,4,4-heptafluorobutanoate
SpectraBase Compound ID 1y36F50815o
InChI InChI=1S/C14H11F7O3/c1-3-4-8-5-6-9(10(7-8)23-2)24-11(22)12(15,16)13(17,18)14(19,20)21/h3,5-7H,1,4H2,2H3
InChIKey LROGQMDQFMASDQ-UHFFFAOYSA-N
Mol Weight 360.23 g/mol
Molecular Formula C14H11F7O3
Exact Mass 360.059641 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3ivPdEvouOe
Name 4-Allyl-2-methoxyphenyl 2,2,3,3,4,4,4-heptafluorobutanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.059641352 u
Formula C14H11F7O3
InChI InChI=1S/C14H11F7O3/c1-3-4-8-5-6-9(10(7-8)23-2)24-11(22)12(15,16)13(17,18)14(19,20)21/h3,5-7H,1,4H2,2H3
InChIKey LROGQMDQFMASDQ-UHFFFAOYSA-N
Molecular Weight 360.228 g/mol
SMILES C1=CC(=CC(=C1OC(C(C(F)(C(F)(F)F)F)(F)F)=O)OC)CC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.888346