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2,3-Ethylone isomer, N-heptafluorobutyryl-

View entire compound with spectra: 1 FTIR

2,3-Ethylone isomer, N-heptafluorobutyryl-
SpectraBase Compound ID 2lVK0iSfv3a
InChI InChI=1S/C16H14F7NO4/c1-3-24(13(26)14(17,18)15(19,20)16(21,22)23)8(2)11(25)9-5-4-6-10-12(9)28-7-27-10/h4-6,8H,3,7H2,1-2H3
InChIKey UDEFZDVNLBOUDF-UHFFFAOYSA-N
Mol Weight 417.28 g/mol
Molecular Formula C16H14F7NO4
Exact Mass 417.081105 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BDums4Ucr3c
Name 2,3-Ethylone isomer, N-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.081105072 u
Formula C16H14F7NO4
InChI InChI=1S/C16H14F7NO4/c1-3-24(13(26)14(17,18)15(19,20)16(21,22)23)8(2)11(25)9-5-4-6-10-12(9)28-7-27-10/h4-6,8H,3,7H2,1-2H3
InChIKey UDEFZDVNLBOUDF-UHFFFAOYSA-N
Molecular Weight 417.280 g/mol
SMILES C1(=CC=CC2=C1OCO2)C(C(C)N(CC)C(=O)C(C(C(F)(F)F)(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.802896