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Propylparaben, heptafluorobutyrate

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

Propylparaben, heptafluorobutyrate
SpectraBase Compound ID CDuiKbGewy1
InChI InChI=1S/C14H11F7O4/c1-2-7-24-10(22)8-3-5-9(6-4-8)25-11(23)12(15,16)13(17,18)14(19,20)21/h3-6H,2,7H2,1H3
InChIKey CBQCLXBQPIUGLJ-UHFFFAOYSA-N
Mol Weight 376.23 g/mol
Molecular Formula C14H11F7O4
Exact Mass 376.054556 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HSyyOPFB1gN
Name Propylparaben, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.054555971 u
Formula C14H11F7O4
InChI InChI=1S/C14H11F7O4/c1-2-7-24-10(22)8-3-5-9(6-4-8)25-11(23)12(15,16)13(17,18)14(19,20)21/h3-6H,2,7H2,1H3
InChIKey CBQCLXBQPIUGLJ-UHFFFAOYSA-N
Molecular Weight 376.227 g/mol
SMILES C(OCCC)(=O)C1=CC=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971704