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13-(2,2,2-Trifluoroacetyl)-5,6-benzo-1,4,7,10-tetraoxa-13-azacyclopentadec-5-ene

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

13-(2,2,2-Trifluoroacetyl)-5,6-benzo-1,4,7,10-tetraoxa-13-azacyclopentadec-5-ene
SpectraBase Compound ID D1wRCm5RjIz
InChI InChI=1S/C16H20F3NO5/c17-16(18,19)15(21)20-5-7-22-9-11-24-13-3-1-2-4-14(13)25-12-10-23-8-6-20/h1-4H,5-12H2
InChIKey HIFANQULVAUTPE-UHFFFAOYSA-N
Mol Weight 363.33 g/mol
Molecular Formula C16H20F3NO5
Exact Mass 363.129357 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F2hT4PQJ0Yk
Name 13-(2,2,2-Trifluoroacetyl)-5,6-benzo-1,4,7,10-tetraoxa-13-azacyclopentadec-5-ene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 363.129357232 u
Formula C16H20F3NO5
InChI InChI=1S/C16H20F3NO5/c17-16(18,19)15(21)20-5-7-22-9-11-24-13-3-1-2-4-14(13)25-12-10-23-8-6-20/h1-4H,5-12H2
InChIKey HIFANQULVAUTPE-UHFFFAOYSA-N
Molecular Weight 363.333 g/mol
SMILES C(F)(F)(F)C(N1CCOCCOC2=C(OCCOCC1)C=CC=C2)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911146