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2C-o-22 2pr

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

2C-o-22 2pr
SpectraBase Compound ID GyTUkBRe3WH
InChI InChI=1S/C18H28F3NO3/c1-5-8-22(9-6-2)10-7-14-11-16(24-4)17(12-15(14)23-3)25-13-18(19,20)21/h11-12H,5-10,13H2,1-4H3
InChIKey XDTJTLKAXSVGJN-UHFFFAOYSA-N
Mol Weight 363.42 g/mol
Molecular Formula C18H28F3NO3
Exact Mass 363.202128 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GyKBHWAq2EO
Name 2C-o-22 2pr
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 363.202128252 u
Formula C18H28F3NO3
InChI InChI=1S/C18H28F3NO3/c1-5-8-22(9-6-2)10-7-14-11-16(24-4)17(12-15(14)23-3)25-13-18(19,20)21/h11-12H,5-10,13H2,1-4H3
InChIKey XDTJTLKAXSVGJN-UHFFFAOYSA-N
Molecular Weight 363.421 g/mol
SMILES C=1(C(=CC(=C(C1)OC)OCC(F)(F)F)OC)CCN(CCC)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.890798