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Phthalic acid, 2-methylbutyl pentyl ester

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

Phthalic acid, 2-methylbutyl pentyl ester
SpectraBase Compound ID KHqsG9yUMP0
InChI InChI=1S/C18H26O4/c1-4-6-9-12-21-17(19)15-10-7-8-11-16(15)18(20)22-13-14(3)5-2/h7-8,10-11,14H,4-6,9,12-13H2,1-3H3
InChIKey HNYCERSRPLOVHC-UHFFFAOYSA-N
Mol Weight 306.4 g/mol
Molecular Formula C18H26O4
Exact Mass 306.183109 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 30L6jjxcI5C
Name Phthalic acid, 2-methylbutyl pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.183109313 u
Formula C18H26O4
InChI InChI=1S/C18H26O4/c1-4-6-9-12-21-17(19)15-10-7-8-11-16(15)18(20)22-13-14(3)5-2/h7-8,10-11,14H,4-6,9,12-13H2,1-3H3
InChIKey HNYCERSRPLOVHC-UHFFFAOYSA-N
Molecular Weight 306.402 g/mol
SMILES C(CCCOC(C1=C(C=CC=C1)C(OCC(CC)C)=O)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.807484