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Phthalic acid, ethyl 5-methoxy-3-methylpentyl ester

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

Phthalic acid, ethyl 5-methoxy-3-methylpentyl ester
SpectraBase Compound ID A0rKx7lMyEP
InChI InChI=1S/C17H24O5/c1-4-21-16(18)14-7-5-6-8-15(14)17(19)22-12-10-13(2)9-11-20-3/h5-8,13H,4,9-12H2,1-3H3
InChIKey ASNMMSGHWPNDIT-UHFFFAOYSA-N
Mol Weight 308.37 g/mol
Molecular Formula C17H24O5
Exact Mass 308.162374 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EnsQSSGJO1I
Name Phthalic acid, ethyl 5-methoxy-3-methylpentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.162373868 u
Formula C17H24O5
InChI InChI=1S/C17H24O5/c1-4-21-16(18)14-7-5-6-8-15(14)17(19)22-12-10-13(2)9-11-20-3/h5-8,13H,4,9-12H2,1-3H3
InChIKey ASNMMSGHWPNDIT-UHFFFAOYSA-N
SMILES C(CCOC(C1=C(C(OCC)=O)C=CC=C1)=O)(CCOC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.888555