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Phthalic acid, 5-methylhex-2-yl butyl ester

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Phthalic acid, 5-methylhex-2-yl butyl ester
SpectraBase Compound ID ERHm7xrdOB3
InChI InChI=1S/C19H28O4/c1-5-6-13-22-18(20)16-9-7-8-10-17(16)19(21)23-15(4)12-11-14(2)3/h7-10,14-15H,5-6,11-13H2,1-4H3
InChIKey HUJYCFMNEYMHDD-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 Jc0GdQOvcEn
Name Phthalic acid, 5-methylhex-2-yl butyl 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/c1-5-6-13-22-18(20)16-9-7-8-10-17(16)19(21)23-15(4)12-11-14(2)3/h7-10,14-15H,5-6,11-13H2,1-4H3
InChIKey HUJYCFMNEYMHDD-UHFFFAOYSA-N
Molecular Weight 320.429 g/mol
SMILES C1=CC=CC(=C1C(OCCCC)=O)C(OC(C)CCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.898161