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2C-o-2 tfa

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

2C-o-2 tfa
SpectraBase Compound ID 23vQ9dvG6pl
InChI InChI=1S/C14H18F3NO4/c1-4-22-12-8-10(20-2)9(7-11(12)21-3)5-6-18-13(19)14(15,16)17/h7-8H,4-6H2,1-3H3,(H,18,19)
InChIKey TXZYUGZOSOXVHZ-UHFFFAOYSA-N
Mol Weight 321.3 g/mol
Molecular Formula C14H18F3NO4
Exact Mass 321.118793 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9hSJBOGwaCz
Name 2C-o-2 tfa
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 321.118792549 u
Formula C14H18F3NO4
InChI InChI=1S/C14H18F3NO4/c1-4-22-12-8-10(20-2)9(7-11(12)21-3)5-6-18-13(19)14(15,16)17/h7-8H,4-6H2,1-3H3,(H,18,19)
InChIKey TXZYUGZOSOXVHZ-UHFFFAOYSA-N
Molecular Weight 321.296 g/mol
SMILES C=1(C(=CC(=C(C1)OC)OCC)OC)CCNC(C(F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.872229