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Phthalic acid, isobutyl 4-methylpent-2-yl ester
SpectraBase Compound ID LU6gKfK0dVA
InChI InChI=1S/C18H26O4/c1-12(2)10-14(5)22-18(20)16-9-7-6-8-15(16)17(19)21-11-13(3)4/h6-9,12-14H,10-11H2,1-5H3
InChIKey BKDPCTNXDMCHGN-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 GQ884BvJOaP
Name Phthalic acid, isobutyl 4-methylpent-2-yl 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/c1-12(2)10-14(5)22-18(20)16-9-7-6-8-15(16)17(19)21-11-13(3)4/h6-9,12-14H,10-11H2,1-5H3
InChIKey BKDPCTNXDMCHGN-UHFFFAOYSA-N
Molecular Weight 306.402 g/mol
SMILES C1=CC=CC(=C1C(OCC(C)C)=O)C(OC(C)CC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953005