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Carbanolate, N-pentafluoropropionyl-

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Carbanolate, N-pentafluoropropionyl-
SpectraBase Compound ID 5Iol5ENmBGG
InChI InChI=1S/C13H11ClF5NO3/c1-6-4-8(14)9(5-7(6)2)23-11(22)20(3)10(21)12(15,16)13(17,18)19/h4-5H,1-3H3
InChIKey CPTJWAZWGJPGFE-UHFFFAOYSA-N
Mol Weight 359.68 g/mol
Molecular Formula C13H11ClF5NO3
Exact Mass 359.034762 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID It1ycG3O9r
Name Carbanolate, N-pentafluoropropionyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 359.034761730 u
Formula C13H11ClF5NO3
InChI InChI=1S/C13H11ClF5NO3/c1-6-4-8(14)9(5-7(6)2)23-11(22)20(3)10(21)12(15,16)13(17,18)19/h4-5H,1-3H3
InChIKey CPTJWAZWGJPGFE-UHFFFAOYSA-N
Molecular Weight 359.680 g/mol
SMILES C(OC1=C(Cl)C=C(C(=C1)C)C)(N(C)C(C(C(F)(F)F)(F)F)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.844655