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Phthalic acid, 3-fluorobenzyl propyl ester

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

Phthalic acid, 3-fluorobenzyl propyl ester
SpectraBase Compound ID 6BahJ5hNug6
InChI InChI=1S/C18H17FO4/c1-2-10-22-17(20)15-8-3-4-9-16(15)18(21)23-12-13-6-5-7-14(19)11-13/h3-9,11H,2,10,12H2,1H3
InChIKey NYDNACMHHSFSMP-UHFFFAOYSA-N
Mol Weight 316.33 g/mol
Molecular Formula C18H17FO4
Exact Mass 316.111087 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JD78vJFPcJP
Name Phthalic acid, 3-fluorobenzyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.111087186 u
Formula C18H17FO4
InChI InChI=1S/C18H17FO4/c1-2-10-22-17(20)15-8-3-4-9-16(15)18(21)23-12-13-6-5-7-14(19)11-13/h3-9,11H,2,10,12H2,1H3
InChIKey NYDNACMHHSFSMP-UHFFFAOYSA-N
Molecular Weight 316.328 g/mol
SMILES C(C1=CC=CC=C1C(OCC1=CC=CC(=C1)F)=O)(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.817974