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L-Aspartic acid, N-pentafluoropropionyl-, dimethyl ester

View entire compound with spectra: 1 FTIR

L-Aspartic acid, N-pentafluoropropionyl-, dimethyl ester
SpectraBase Compound ID 6g5s3cZeQyf
InChI InChI=1S/C9H10F5NO5/c1-19-5(16)3-4(6(17)20-2)15-7(18)8(10,11)9(12,13)14/h4H,3H2,1-2H3,(H,15,18)
InChIKey KFYWBIRPRAGKHO-UHFFFAOYSA-N
Mol Weight 307.17 g/mol
Molecular Formula C9H10F5NO5
Exact Mass 307.047913 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2qK34N02XDJ
Name L-Aspartic acid, N-pentafluoropropionyl-, dimethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 307.047913236 u
Formula C9H10F5NO5
InChI InChI=1S/C9H10F5NO5/c1-19-5(16)3-4(6(17)20-2)15-7(18)8(10,11)9(12,13)14/h4H,3H2,1-2H3,(H,15,18)
InChIKey KFYWBIRPRAGKHO-UHFFFAOYSA-N
Molecular Weight 307.173 g/mol
SMILES C(=O)(OC)CC(NC(C(C(F)(F)F)(F)F)=O)C(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910591