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Phthalic acid, 3,4-difluorobenzyl propyl ester

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Phthalic acid, 3,4-difluorobenzyl propyl ester
SpectraBase Compound ID 3zrG76IlKhG
InChI InChI=1S/C18H16F2O4/c1-2-9-23-17(21)13-5-3-4-6-14(13)18(22)24-11-12-7-8-15(19)16(20)10-12/h3-8,10H,2,9,11H2,1H3
InChIKey RWWICPNNNSEYNZ-UHFFFAOYSA-N
Mol Weight 334.32 g/mol
Molecular Formula C18H16F2O4
Exact Mass 334.101665 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L8HX9dlroRM
Name Phthalic acid, 3,4-difluorobenzyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.101665317 u
Formula C18H16F2O4
InChI InChI=1S/C18H16F2O4/c1-2-9-23-17(21)13-5-3-4-6-14(13)18(22)24-11-12-7-8-15(19)16(20)10-12/h3-8,10H,2,9,11H2,1H3
InChIKey RWWICPNNNSEYNZ-UHFFFAOYSA-N
Molecular Weight 334.319 g/mol
SMILES C1=CC=CC(=C1C(OCCC)=O)C(OCC1=CC=C(C(=C1)F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.84443