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4-(4-Hydroxyphenyl)-2-butanone, heptafluorobutyrate

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4-(4-Hydroxyphenyl)-2-butanone, heptafluorobutyrate
SpectraBase Compound ID IgNpcd9fIK2
InChI InChI=1S/C14H11F7O3/c1-8(22)2-3-9-4-6-10(7-5-9)24-11(23)12(15,16)13(17,18)14(19,20)21/h4-7H,2-3H2,1H3
InChIKey RDDUEDMZNZIQGC-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 IzR28dwmNiJ
Name 4-(4-Hydroxyphenyl)-2-butanone, heptafluorobutyrate
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/c1-8(22)2-3-9-4-6-10(7-5-9)24-11(23)12(15,16)13(17,18)14(19,20)21/h4-7H,2-3H2,1H3
InChIKey RDDUEDMZNZIQGC-UHFFFAOYSA-N
Molecular Weight 360.228 g/mol
SMILES C(CC(C)=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) 0.940789