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Carbanolate, N-heptafluorobutyryl-

View entire compound with spectra: 1 FTIR

Carbanolate, N-heptafluorobutyryl-
SpectraBase Compound ID 9Ztm88s4q19
InChI InChI=1S/C14H11ClF7NO3/c1-6-4-8(15)9(5-7(6)2)26-11(25)23(3)10(24)12(16,17)13(18,19)14(20,21)22/h4-5H,1-3H3
InChIKey WQFHDBFAQVTSJF-UHFFFAOYSA-N
Mol Weight 409.69 g/mol
Molecular Formula C14H11ClF7NO3
Exact Mass 409.031568 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IeFpgg3I1a3
Name Carbanolate, N-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.031568056 u
Formula C14H11ClF7NO3
InChI InChI=1S/C14H11ClF7NO3/c1-6-4-8(15)9(5-7(6)2)26-11(25)23(3)10(24)12(16,17)13(18,19)14(20,21)22/h4-5H,1-3H3
InChIKey WQFHDBFAQVTSJF-UHFFFAOYSA-N
Molecular Weight 409.688 g/mol
SMILES C(OC1=C(Cl)C=C(C(=C1)C)C)(N(C)C(=O)C(C(C(F)(F)F)(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.898459