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tma-2 P1317

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

tma-2 P1317
SpectraBase Compound ID 4WsY4IThuel
InChI InChI=1S/C15H18F5NO4/c1-8(21-13(22)14(16,17)15(18,19)20)5-9-6-11(24-3)12(25-4)7-10(9)23-2/h6-8H,5H2,1-4H3,(H,21,22)
InChIKey NCEPFUUXWIKRCU-UHFFFAOYSA-N
Mol Weight 371.3 g/mol
Molecular Formula C15H18F5NO4
Exact Mass 371.115599 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CAC9bDnqUBS
Name tma-2 P1317
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.115598875 u
Formula C15H18F5NO4
InChI InChI=1S/C15H18F5NO4/c1-8(21-13(22)14(16,17)15(18,19)20)5-9-6-11(24-3)12(25-4)7-10(9)23-2/h6-8H,5H2,1-4H3,(H,21,22)
InChIKey NCEPFUUXWIKRCU-UHFFFAOYSA-N
Molecular Weight 371.304 g/mol
SMILES C=1(C=C(CC(C)NC(=O)C(F)(F)C(F)(F)F)C(=CC1OC)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.834854