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4-(Heptafluorobutyryl)oxychalcone

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4-(Heptafluorobutyryl)oxychalcone
SpectraBase Compound ID 5ksWmPz3qqN
InChI InChI=1S/C19H11F7O3/c20-17(21,18(22,23)19(24,25)26)16(28)29-14-9-6-12(7-10-14)8-11-15(27)13-4-2-1-3-5-13/h1-11H/b11-8+
InChIKey MIURVQMQLAGUKP-DHZHZOJOSA-N
Mol Weight 420.28 g/mol
Molecular Formula C19H11F7O3
Exact Mass 420.059641 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3M78ZbZgCi7
Name 4-(Heptafluorobutyryl)oxychalcone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.059641352 u
Formula C19H11F7O3
InChI InChI=1S/C19H11F7O3/c20-17(21,18(22,23)19(24,25)26)16(28)29-14-9-6-12(7-10-14)8-11-15(27)13-4-2-1-3-5-13/h1-11H/b11-8+
InChIKey MIURVQMQLAGUKP-DHZHZOJOSA-N
Molecular Weight 420.283 g/mol
SMILES C1(=CC=CC=C1)C(\C=C\C=1C=CC(=CC1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.830471