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Diethyl 4-methoxyphthalate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Diethyl 4-methoxyphthalate
SpectraBase Compound ID BGd4YmcgrYX
InChI InChI=1S/C13H16O5/c1-4-17-12(14)10-7-6-9(16-3)8-11(10)13(15)18-5-2/h6-8H,4-5H2,1-3H3
InChIKey NNUKHDIOBTUYHV-UHFFFAOYSA-N
Mol Weight 252.27 g/mol
Molecular Formula C13H16O5
Exact Mass 252.099774 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CpJmMgGpVeY
Name Diethyl 4-methoxyphthalate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.099773610 u
Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-4-17-12(14)10-7-6-9(16-3)8-11(10)13(15)18-5-2/h6-8H,4-5H2,1-3H3
InChIKey NNUKHDIOBTUYHV-UHFFFAOYSA-N
Molecular Weight 252.266 g/mol
SMILES C=1(C=C(C(C(=O)OCC)=CC1)C(OCC)=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.812805