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

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

Phthalic acid, 5-methoxy-3-methylpentyl methyl ester
SpectraBase Compound ID KlxrpQlPdaV
InChI InChI=1S/C16H22O5/c1-12(8-10-19-2)9-11-21-16(18)14-7-5-4-6-13(14)15(17)20-3/h4-7,12H,8-11H2,1-3H3
InChIKey QXCAUCLIEWYCGT-UHFFFAOYSA-N
Mol Weight 294.35 g/mol
Molecular Formula C16H22O5
Exact Mass 294.146724 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KaoNSEnRiXZ
Name Phthalic acid, 5-methoxy-3-methylpentyl methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.146723803 u
Formula C16H22O5
InChI InChI=1S/C16H22O5/c1-12(8-10-19-2)9-11-21-16(18)14-7-5-4-6-13(14)15(17)20-3/h4-7,12H,8-11H2,1-3H3
InChIKey QXCAUCLIEWYCGT-UHFFFAOYSA-N
Molecular Weight 294.347 g/mol
SMILES COCCC(C)CCOC(C1=C(C=CC=C1)C(=O)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.903208