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1,3-Dimethyl 2-[2-(4-fluorophenyl)ethylidene]propanedioate

View entire compound with spectra: 1 FTIR

1,3-Dimethyl 2-[2-(4-fluorophenyl)ethylidene]propanedioate
SpectraBase Compound ID IsrLUDOIJ2M
InChI InChI=1S/C13H13FO4/c1-17-12(15)11(13(16)18-2)8-5-9-3-6-10(14)7-4-9/h3-4,6-8H,5H2,1-2H3
InChIKey HAIKMVVSEAJOPW-UHFFFAOYSA-N
Mol Weight 252.24 g/mol
Molecular Formula C13H13FO4
Exact Mass 252.079787 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DAQJXM1MzuL
Name 1,3-Dimethyl 2-[2-(4-fluorophenyl)ethylidene]propanedioate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.079787058 u
Formula C13H13FO4
InChI InChI=1S/C13H13FO4/c1-17-12(15)11(13(16)18-2)8-5-9-3-6-10(14)7-4-9/h3-4,6-8H,5H2,1-2H3
InChIKey HAIKMVVSEAJOPW-UHFFFAOYSA-N
Molecular Weight 252.241 g/mol
SMILES C1=CC(=CC=C1CC=C(C(OC)=O)C(OC)=O)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956936