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Phthalic acid, hexyl 3-methylbutyl ester

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Phthalic acid, hexyl 3-methylbutyl ester
SpectraBase Compound ID Lgv6sGNyX3V
InChI InChI=1S/C19H28O4/c1-4-5-6-9-13-22-18(20)16-10-7-8-11-17(16)19(21)23-14-12-15(2)3/h7-8,10-11,15H,4-6,9,12-14H2,1-3H3
InChIKey UWZAREUFMFOGHN-UHFFFAOYSA-N
Mol Weight 320.43 g/mol
Molecular Formula C19H28O4
Exact Mass 320.198759 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1I2EtPBWhu3
Name Phthalic acid, hexyl 3-methylbutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.198759378 u
Formula C19H28O4
InChI InChI=1S/C19H28O4/c1-4-5-6-9-13-22-18(20)16-10-7-8-11-17(16)19(21)23-14-12-15(2)3/h7-8,10-11,15H,4-6,9,12-14H2,1-3H3
InChIKey UWZAREUFMFOGHN-UHFFFAOYSA-N
Molecular Weight 320.429 g/mol
SMILES C1=C(C(=CC=C1)C(OCCCCCC)=O)C(OCCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.86557