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3,5-Bis(trifluoromethyl)benzylformiate

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

3,5-Bis(trifluoromethyl)benzylformiate
SpectraBase Compound ID 4e23ufCHB0c
InChI InChI=1S/C10H6F6O2/c11-9(12,13)7-1-6(4-18-5-17)2-8(3-7)10(14,15)16/h1-3,5H,4H2
InChIKey QMTGIGHRQNEAIF-UHFFFAOYSA-N
Mol Weight 272.15 g/mol
Molecular Formula C10H6F6O2
Exact Mass 272.027198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5UAuq2iDBJh
Name 3,5-bis(Trifluoromethyl)benzylformiate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.027198409 u
Formula C10H6F6O2
InChI InChI=1S/C10H6F6O2/c11-9(12,13)7-1-6(4-18-5-17)2-8(3-7)10(14,15)16/h1-3,5H,4H2
InChIKey QMTGIGHRQNEAIF-UHFFFAOYSA-N
Molecular Weight 272.146 g/mol
SMILES C(C1=CC(C(F)(F)F)=CC(=C1)COC=O)(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.87339