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

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Phthalic acid, butyl 5-methoxy-3-methylpentyl ester
SpectraBase Compound ID 2U429Jl2zw3
InChI InChI=1S/C19H28O5/c1-4-5-12-23-18(20)16-8-6-7-9-17(16)19(21)24-14-11-15(2)10-13-22-3/h6-9,15H,4-5,10-14H2,1-3H3
InChIKey ITVWTIWUWIVLKL-UHFFFAOYSA-N
Mol Weight 336.43 g/mol
Molecular Formula C19H28O5
Exact Mass 336.193674 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6G7xxT67Bx8
Name Phthalic acid, butyl 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 336.193673997 u
Formula C19H28O5
InChI InChI=1S/C19H28O5/c1-4-5-12-23-18(20)16-8-6-7-9-17(16)19(21)24-14-11-15(2)10-13-22-3/h6-9,15H,4-5,10-14H2,1-3H3
InChIKey ITVWTIWUWIVLKL-UHFFFAOYSA-N
Molecular Weight 336.428 g/mol
SMILES C(COC(C1=C(C=CC=C1)C(OCCC(CCOC)C)=O)=O)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.902429