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4-Amino-1,1,1-trifluorobut-3-en-2-one, N-acetyl-

View entire compound with spectra: 1 NMR, and 1 FTIR

4-Amino-1,1,1-trifluorobut-3-en-2-one, N-acetyl-
SpectraBase Compound ID GMShEms0V1z
InChI InChI=1S/C6H6F3NO2/c1-4(11)10-3-2-5(12)6(7,8)9/h2-3H,1H3,(H,10,11)/b3-2+
InChIKey UPBOSVWEJSSWKG-NSCUHMNNSA-N
Mol Weight 181.11 g/mol
Molecular Formula C6H6F3NO2
Exact Mass 181.035063 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8WYVJgCNlHQ
Name 4-Amino-1,1,1-trifluorobut-3-en-2-one, N-acetyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 181.035062924 u
Formula C6H6F3NO2
InChI InChI=1S/C6H6F3NO2/c1-4(11)10-3-2-5(12)6(7,8)9/h2-3H,1H3,(H,10,11)/b3-2+
InChIKey UPBOSVWEJSSWKG-NSCUHMNNSA-N
Molecular Weight 181.114 g/mol
SMILES C(F)(F)(F)C(=O)\C=C\NC(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.875145