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4H-Pyran-4-one, tetrahydro-6-(phenylmethoxy)-2,2-bis(trifluoromethyl)-, (.+-.)-

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

4H-Pyran-4-one, tetrahydro-6-(phenylmethoxy)-2,2-bis(trifluoromethyl)-, (.+-.)-
SpectraBase Compound ID AWeygtDatnV
InChI InChI=1S/C14H12F6O3/c15-13(16,17)12(14(18,19)20)7-10(21)6-11(23-12)22-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2
InChIKey XRUYNDYQIVYSMI-UHFFFAOYSA-N
Mol Weight 342.24 g/mol
Molecular Formula C14H12F6O3
Exact Mass 342.069063 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Agge8e6WaJq
Name 4H-Pyran-4-one, tetrahydro-6-(phenylmethoxy)-2,2-bis(trifluoromethyl)-, (.+-.)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.069063221 u
Formula C14H12F6O3
InChI InChI=1S/C14H12F6O3/c15-13(16,17)12(14(18,19)20)7-10(21)6-11(23-12)22-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2
InChIKey XRUYNDYQIVYSMI-UHFFFAOYSA-N
Molecular Weight 342.237 g/mol
SMILES C1(C(F)(F)F)(C(F)(F)F)OC(OCC=2C=CC=CC2)CC(C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.821902