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4-Trfluoroacetyloxy-4-phenylbut-1-ene
SpectraBase Compound ID 1zyGfGu0TkD
InChI InChI=1S/C12H11F3O2/c1-2-6-10(9-7-4-3-5-8-9)17-11(16)12(13,14)15/h2-5,7-8,10H,1,6H2
InChIKey NJMKIQQBPMDJGE-UHFFFAOYSA-N
Mol Weight 244.21 g/mol
Molecular Formula C12H11F3O2
Exact Mass 244.071114 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H7h37Zcy7aQ
Name 4-Trfluoroacetyloxy-4-phenylbut-1-ene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.071114081 u
Formula C12H11F3O2
InChI InChI=1S/C12H11F3O2/c1-2-6-10(9-7-4-3-5-8-9)17-11(16)12(13,14)15/h2-5,7-8,10H,1,6H2
InChIKey NJMKIQQBPMDJGE-UHFFFAOYSA-N
Molecular Weight 244.213 g/mol
SMILES C(CC=C)(C1=CC=CC=C1)OC(=O)C(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.831253